SCHEMBL3838454

SCHEMBL3838454

CNc1cc2[nH]c(=O)n(-c3cccc(NC(C(=O)O)c4ccc(Cl)s4)c3)c(=O)c2cc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 3/20 0.33
▸ RXFP1 Q9HBX9 3/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL1639032 0.88 P2RY12 (0.51) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27777390 0.87 P2RY12 (0.54) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1639752 0.83 P2RY12 (0.54) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1640201 0.83 P2RY12 (0.68) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1640891 0.83 P2RY12 (0.57) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1640864 0.83 P2RY12 (0.53) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1640735 0.82 P2RY12 (0.52) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27756396 0.81 P2RY12 (0.59) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1640369 0.80 P2RY12 (0.51) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1640127 0.80 P2RY12 (0.53) P2RY12KDM4EALDH1A1SMN1; SMN2GAA

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
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
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