SCHEMBL27777330

SCHEMBL27777330

CNc1cc2[nH]c(=O)n(-c3ccc(NC(C(=O)O)c4ccc(Cl)cc4)cc3)c(=O)c2cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.55
▸ MDM2 Q00987 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ TP53 P04637 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPD P32754 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ B3GNT2 Q9NY97 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
SCHEMBL27756390 0.91 P2RY12 (0.53) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL1639567 0.88 P2RY12 (0.49) P2RY12KDM4ETP53SMN1; SMN2LMNA
SCHEMBL1639033 0.79 P2RY12 (0.48) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL15494798 0.78 P2RY12 (0.64) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL12727376 0.78 P2RY12 (0.56) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL1640201 0.78 P2RY12 (0.68) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL27756396 0.77 P2RY12 (0.59) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL3838454 0.77 P2RY12 (0.54) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL1640891 0.76 P2RY12 (0.57) P2RY12KDM4ETP53ALDH1A1HPGD
SCHEMBL14525281 0.75 ALDH1A1 (0.58) P2RY12KDM4ETP53ALDH1A1HPGD

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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