SCHEMBL14070098

SCHEMBL14070098

C=C(Cl)/N=C(\N=C(/N)Cl)Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.58
▸ GNB1 P62873 5/20 0.58
▸ HPGDS O60760 1/20 0.57
▸ PHLPP2 Q6ZVD8 2/20 0.56
▸ CHAT P28329 4/20 0.55
▸ USP2 O75604 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ P2RY4 P51582 4/20 0.55
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ ENPP3 O14638 1/20 0.53
▸ ENPP1 P22413 1/20 0.53

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
SCHEMBL14069520 0.93 GNG2 (0.51) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL14069525 0.92 GNG2 (0.55) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL14069687 0.81 PHLPP2 (0.57) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL17082608 0.80 GNG2 (0.74) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL13214010 0.80 GNG2 (0.78) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL3019527 0.79 GNG2 (0.77) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL8779914 0.79 GNG2 (0.81) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL3019530 0.79 GNG2 (0.77) GNG2GNB1HPGDSPHLPP2CHAT
SCHEMBL13021512 0.78 GNG2 (0.92) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL6876404 0.77 GNG2 (0.78) GNG2GNB1HPGDSPHLPP2CHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008107211-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2008-09-12 — — WO disclosed
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