SCHEMBL31616878

SCHEMBL31616878

C=C(C)C(=O)Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]

nearest known ligand 0.81

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 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 known ✓ P41231 10/20 0.81
▸ P2RY4 known ✓ P51582 12/20 0.70
▸ P2RY12 known ✓ Q9H244 6/20 0.70
▸ P2RY6 known ✓ Q15077 4/20 0.70
▸ P2RY1 known ✓ P47900 2/20 0.69
▸ ENTPD1 P49961 2/20 0.70
▸ MET P08581 3/20 0.70
▸ HGF P14210 2/20 0.70
▸ CDK2 P24941 2/20 0.69

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
SCHEMBL29356677 0.90 P2RY2 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL31616829 0.85 P2RY2 (0.76) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL31616828 0.85 P2RY2 (0.76) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL11311709 0.84 MEN1 (0.80) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3021097 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3029895 0.83 MET (0.93) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3026030 0.83 P2RY12 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
Acid Blue 25 SCHEMBL29355038 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
Acid Blue 25 SCHEMBL790822 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3016033 0.82 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025125986-A1 OPHTHALMIC DEVICES CONTAINING PHOTOSTABLE MIMICS OF MACULAR PIGMENT AND OTHER VISIBLE LIGHT FILTERS JOHNSON & JOHNSON VISION CARE, INC. (US) 2025-06-19 — — WO disclosed
US-20250189826-A1 OPHTHALMIC DEVICES CONTAINING PHOTOSTABLE MIMICS OF MACULAR PIGMENT AND OTHER VISIBLE LIGHT FILTERS JOHNSON & JOHNSON VISION CARE, INC. 2025-06-12 — — US disclosed
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