SCHEMBL27756391

SCHEMBL27756391

CNc1cc2[nH]c(=O)n(-c3cccc(C(=O)NC(C(=O)O)c4cccs4)c3)c(=O)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.42
▸ RXFP1 Q9HBX9 3/20 0.38
▸ HPGD P15428 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TP53 P04637 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PYGL P06737 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GLA P06280 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
SCHEMBL1640098 0.92 P2RY12 (0.46) P2RY12RXFP1HPGDMEN1KMT2A
SCHEMBL27777254 0.88 P2RY12 (0.41) P2RY12RXFP1HPGDCYP3A4CYP2D6
SCHEMBL27756531 0.88 P2RY12 (0.43) P2RY12RXFP1HPGDMEN1KMT2A
SCHEMBL1639032 0.88 P2RY12 (0.51) P2RY12RXFP1HPGDMEN1KMT2A
SCHEMBL1640535 0.79 P2RY12 (0.48) P2RY12RXFP1HPGDMEN1KMT2A
SCHEMBL27756536 0.79 RXFP1 (0.44) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL1640891 0.78 P2RY12 (0.57) P2RY12RXFP1HPGDMEN1KMT2A
SCHEMBL14273352 0.78 P2RY12 (0.44) P2RY12RXFP1HPGDMEN1KMT2A
SCHEMBL1639808 0.77 P2RY12 (0.45) P2RY12RXFP1MEN1KMT2ATP53
SCHEMBL1639033 0.77 P2RY12 (0.48) P2RY12RXFP1HPGDMEN1KMT2A

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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