SCHEMBL14066759

SCHEMBL14066759

Nc1c(S(=O)(=O)O)cc(Nc2cccc(C(=O)O)c2)c2c1C(=O)c1ccc(I)cc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.61
▸ GNB1 P62873 5/20 0.61
▸ P2RY4 P51582 7/20 0.59
▸ PHLPP2 Q6ZVD8 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ P2RY12 Q9H244 5/20 0.52
▸ P2RY2 P41231 4/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ P2RY1 P47900 2/20 0.49
▸ P2RY6 Q15077 2/20 0.49
▸ PLAUR Q03405 1/20 0.48

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
SCHEMBL13214014 0.90 GNG2 (0.76) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL3033166 0.89 GNG2 (0.74) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL3033165 0.80 P2RY4 (0.80) P2RY4P2RY12P2RY2CDK2P2RY1
SCHEMBL13214019 0.79 P2RY4 (0.80) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL10488745 0.79 CHAT (0.71) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL13214011 0.79 P2RY12 (0.81) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL791019 0.78 GNG2 (0.85) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL29357302 0.78 GNG2 (0.85) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL3016037 0.78 P2RY4 (0.78) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL3026159 0.78 P2RY12 (0.79) GNG2GNB1P2RY4PHLPP2CYP1A2

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
EP-1967513-A1 Novel P2Y12 receptor antagonists Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2008-09-10 — — EP disclosed
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