SCHEMBL29394507

SCHEMBL29394507

Nc1ccc(S(=O)(=O)[O-])c2ccc(N=Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(O)c12.[Na+]

nearest known ligand 0.47

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
▸ THRB known ✓ P10828 4/20 0.45
▸ CA12 known ✓ O43570 2/20 0.39
▸ CA1 known ✓ P00915 2/20 0.39
▸ CA2 known ✓ P00918 2/20 0.39
▸ CA4 known ✓ P22748 1/20 0.38
▸ APEX1 P27695 4/20 0.47
▸ GPR35 Q9HC97 2/20 0.47
▸ HSPD1 P10809 2/20 0.47
▸ HSPE1 P61604 2/20 0.47
▸ TST Q16762 2/20 0.47
▸ ALB P02768 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ HPGD P15428 5/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ CYP1A2 P05177 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ RECQL P46063 4/20 0.45

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
SCHEMBL28747720 0.77 HSPD1 (0.51) APEX1HSPD1HSPE1TSTALB
SCHEMBL11140694 0.76 NT5E (0.51) APEX1HSPD1HSPE1TSTALB
SCHEMBL11140691 0.76 NT5E (0.51) APEX1HSPD1HSPE1TSTALB
SCHEMBL28747688 0.76 CYP1A2 (0.54) APEX1ENPP2HPGDHSD17B10THRB
SCHEMBL10895528 0.74 CYP1A2 (0.59) GPR35HPGDHSD17B10THRBCYP1A2
SCHEMBL17088271 0.73 CYP1A2 (0.52) APEX1GPR35PTPN1HPGDHSD17B10
SCHEMBL28494255 0.72 L3MBTL1 (0.45) APEX1HSPD1HSPE1TSTALB
SCHEMBL414840 0.72 CYP1A2 (0.54) ENPP2HPGDHSD17B10THRBCYP1A2
SCHEMBL416249 0.71 CYP2C9 (0.56) APEX1ENPP2HPGDHSD17B10THRB
SCHEMBL11054319 0.71 APP (0.58) GPR35ENPP2HPGDHSD17B10THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118818896-A Colored resin composition, color filter, and display device 住友化学株式会社 2024-10-22 — — CN disclosed
CN-107918247-B Colored curable resin composition 住友化学株式会社 2022-03-18 — — CN disclosed
CN-107918246-B Colored curable resin composition 住友化学株式会社 2022-02-25 — — CN disclosed
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