SCHEMBL27756531

SCHEMBL27756531

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.40
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTR3A P46098 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL1639032 0.92 P2RY12 (0.51) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL1640535 0.91 P2RY12 (0.48) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL27756391 0.88 P2RY12 (0.42) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL1640891 0.83 P2RY12 (0.57) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL12768050 0.81 P2RY12 (0.49) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL1640127 0.81 P2RY12 (0.53) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL1640098 0.80 P2RY12 (0.46) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL1640735 0.80 P2RY12 (0.52) P2RY12RXFP1TP53MAPTKMT2A
SCHEMBL1639752 0.80 P2RY12 (0.54) P2RY12RXFP1TP53MAPTSMN1; SMN2
SCHEMBL1640864 0.79 P2RY12 (0.53) P2RY12RXFP1TP53MAPTSMN1; SMN2

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
CN-101534832-A Substituted nitrogen containing heterocycles as platelet ADP receptor inhibitors PORTOLA PHARM INC (US) 2009-09-16 — — CN claimed
CN-101534832-A Substituted nitrogen containing heterocycles as platelet ADP receptor inhibitors PORTOLA PHARM INC (US) 2009-09-16 — — CN disclosed
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