SCHEMBL11437672

SCHEMBL11437672

O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc12)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.43

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
▸ FGF1 known ✓ P05230 1/20 0.41
▸ RORC P51449 4/20 0.43
▸ APEX1 P27695 2/20 0.41
▸ SIRT1 Q96EB6 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KCNMA1 Q12791 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SLC5A1 P13866 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38

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
SCHEMBL11444087 0.93 APEX1 (0.43) RORCFGF1APEX1MAPTMEN1
SCHEMBL11418891 0.87 APEX1 (0.43) RORCAPEX1MAPTMEN1KMT2A
SCHEMBL11433136 0.85 APEX1 (0.51) RORCAPEX1SIRT1PRMT1MAPT
SCHEMBL11437642 0.85 F11 (0.42) RORCAPEX1MAPTMEN1KMT2A
SCHEMBL11429059 0.84 DUSP5 (0.48) RORCAPEX1MAPTMEN1KMT2A
SCHEMBL11437677 0.83 CASP6 (0.44) RORCAPEX1PRMT1MAPTMEN1
SCHEMBL11432535 0.83 FGF1 (0.43) FGF1APEX1SIRT1PRMT1MAPT
SCHEMBL11437668 0.83 CASP6 (0.43) RORCAPEX1PRMT1MAPTMEN1
SCHEMBL11440003 0.82 APEX1 (0.41) RORCAPEX1MAPTMEN1KMT2A
SCHEMBL11766327 0.81 RAB9A (0.54) FGF1MAPTMEN1KMT2ARAB9A

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
US-4229584-A Ureylenebis(anionic substituted phenylene carbonyl)imino naphthalene sulfonic acids and naphthalene carboxylic acids and their salts AMERICAN CYANAMID COMPANY (US) 1980-10-21 — — US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 — — US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
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