SCHEMBL7744485

SCHEMBL7744485

O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.76

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A known ✓ P27815 1/20 0.44
▸ PDE4B known ✓ Q07343 1/20 0.44
▸ PDE4D known ✓ Q08499 1/20 0.44
▸ CA2 known ✓ P00918 1/20 0.40
▸ PTGS1 known ✓ P23219 1/20 0.40
▸ PTGS2 known ✓ P35354 1/20 0.40
▸ RAD51 Q06609 8/20 0.76
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ USP2 O75604 2/20 0.49
▸ LTA P01374 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ P2RX3 P56373 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ PDE2A O00408 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6815526 1.00 RAD51 (0.76) RAD51ALDH1A1CYP3A4MAPTTDP1
SCHEMBL29405878 1.00 RAD51 (0.76) RAD51ALDH1A1CYP3A4MAPTTDP1
Potassium Ion SCHEMBL10633167 0.97 RAD51 (0.72) RAD51ALDH1A1CYP3A4MAPTTDP1
Potassium Ion SCHEMBL10633160 0.97 RAD51 (0.72) RAD51ALDH1A1CYP3A4MAPTTDP1
SCHEMBL29702569 0.92 RAD51 (0.67) RAD51ALDH1A1CYP3A4MAPTTDP1
SCHEMBL29626956 0.91 RAD51 (0.66) RAD51ALDH1A1CYP3A4MAPTTDP1
SCHEMBL2391195 0.91 RAD51 (0.66) RAD51ALDH1A1CYP3A4MAPTTDP1
SCHEMBL6050517 0.91 RAD51 (0.66) RAD51ALDH1A1CYP3A4MAPTTDP1
SCHEMBL27616742 0.88 RAD51 (0.62) RAD51ALDH1A1CYP3A4MAPTTDP1
SCHEMBL7555160 0.85 RAD51 (0.59) RAD51ALDH1A1CYP3A4MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10788502-B2 Erythrocyte sedimentation inhibitor FUJIMORI KOGYO CO., LTD. (JP) 2020-09-29 — — US claimed
US-20170010289-A1 ERYTHROCYTE SEDIMENTATION INHIBITOR FUJIMORI KOGYO CO., LTD. (JP) 2017-01-12 — — US claimed
EP-3104178-A1 ERYTHROCYTE SEDIMENTATION INHIBITOR Fujimori Kogyo Co., Ltd. (JP) 2016-12-14 — — EP claimed
EP-0019712-B1 PROCESS FOR PARTIAL REDUCTION OF POLYNITRODIARYL COMPOUNDS BAYER AG (DE) 1982-12-15 — — EP claimed
US-4348335-A Process for the partial reduction of polynitrated diaryl compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 — — US claimed
US-3936497-A HYDROGENATION OF DINITRO WITH NICKEL CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-02-03 — — US claimed
JP-4293969-A — — None — — JP disclosed
US-12408914-B2 Systems and methods for customizing mechanical strength in stimuli-responsive bioabsorbable materials CILAG GMBH INTERNATIONAL (CH) 2025-09-09 — — US disclosed
EP-4242628-B1 REDUCTION OF ERYTHROCYTE SEDIMENTATION RATE BIOMATRICA INC (US) 2025-07-02 — — EP disclosed
EP-4543502-A1 SYSTEMS AND METHODS FOR CUSTOMIZING MECHANICAL STRENGTH IN STIMULI-RESPONSIVE BIOABSORBABLE MATERIALS Cilag GmbH International (CH) 2025-04-30 — — EP disclosed
WO-2024261659-A1 SYSTEMS AND METHODS FOR CUSTOMIZING MECHANICAL STRENGTH IN STIMULI-RESPONSIVE BIOABSORBABLE MATERIALS CILAG GMBH INTERNATIONAL (CH) 2024-12-26 — — WO disclosed
US-20240423620-A1 COMPRESSIBLE SURGICAL ADJUNCTS, CARTRIDGES, AND CARTRIDGE ASSEMBLIES AND METHODS OF MAKING SURGICAL ADJUNCTS CILAG GMBH INTERNATIONAL (CH) 2024-12-26 — — US disclosed
US-20240423617-A1 SYSTEMS AND METHODS FOR CUSTOMIZING MECHANICAL STRENGTH IN STIMULI-RESPONSIVE BIOABSORBABLE MATERIALS CILAG GMBH INTERNATIONAL (CH) 2024-12-26 — — US disclosed
US-5041632-A Process for the preparation of 4,4'-dinitrostilbene-2,2-disulfonic acid CIBA-GEIGY CORPORATION (US) 1991-08-20 — — US disclosed
US-4719051-A Process for the preparation of 4,4'-dinitrostilbene-2,2'-disulfonic acid and its salts CIBA-GEIGY CORPORATION (US) 1988-01-12 — — US disclosed
US-4348335-A Process for the partial reduction of polynitrated diaryl compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 — — US disclosed
US-4133828-A Manufacture of dimethylaminobenzenesulfonates BASF AKTIENGESELLSCHAFT (DE) 1979-01-09 — — US disclosed
US-3989743-A Process for the preparation of 4,4'-diaminostilbene-2,2'-disulphonic acid BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — US disclosed
US-3936497-A HYDROGENATION OF DINITRO WITH NICKEL CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-02-03 — — US disclosed
US-3936497-A HYDROGENATION OF DINITRO WITH NICKEL CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-02-03 — — US disclosed
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