SCHEMBL14273352

SCHEMBL14273352

CNc1cc2[nH]c(=O)n(-c3cccc(C(=O)NC(C(=O)O)C4CC=C(Cl)S4)c3)c(=O)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ TP53 P04637 4/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33

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
SCHEMBL14273423 0.85 P2RY12 (0.58) P2RY12SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1639032 0.80 P2RY12 (0.51) P2RY12SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL14273426 0.79 KMT2A (0.41) P2RY12SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL27756391 0.78 P2RY12 (0.42) P2RY12SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL27756531 0.77 P2RY12 (0.43) P2RY12SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1639033 0.76 P2RY12 (0.48) P2RY12SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL27777254 0.75 P2RY12 (0.41) P2RY12SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1639567 0.73 P2RY12 (0.49) P2RY12SMN1; SMN2LMNAKDM4ERXFP1
SCHEMBL1640891 0.72 P2RY12 (0.57) P2RY12SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL12768944 0.72 MAPK1 (0.50) P2RY12SMN1; SMN2ALDH1A1KDM4EHPGD

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-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
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