SCHEMBL14273426

SCHEMBL14273426

CNc1ccc2c(=O)n(-c3ccc(C(=O)NC(C(=O)O)C4CC=C(Cl)S4)cc3)c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ TP53 P04637 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTR3A P46098 3/20 0.38
▸ P2RY12 Q9H244 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL14273352 0.79 P2RY12 (0.44) KMT2AGAATP53MAPTALDH1A1
SCHEMBL14273423 0.79 P2RY12 (0.58) KMT2AGAATP53MAPTALDH1A1
SCHEMBL1640093 0.78 P2RY12 (0.44) KMT2AGAATP53MAPTALDH1A1
SCHEMBL13635285 0.71 P2RY12 (0.63) KMT2AGAATP53MAPTALDH1A1
SCHEMBL13635628 0.67 HTR3A (0.41) KMT2AGAATP53MAPTALDH1A1
SCHEMBL13634875 0.67 P2RY12 (0.49) KMT2AGAATP53MAPTALDH1A1
SCHEMBL1640891 0.65 P2RY12 (0.57) KMT2AGAATP53MAPTALDH1A1
SCHEMBL1640127 0.65 P2RY12 (0.53) KMT2AGAATP53MAPTALDH1A1
SCHEMBL1639033 0.65 P2RY12 (0.48) KMT2AGAATP53MAPTALDH1A1
SCHEMBL1639567 0.65 P2RY12 (0.49) KMT2AGAATP53MAPTLMNA

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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