SCHEMBL15624190

SCHEMBL15624190

CCOC(=O)ONC(=O)C(c1ccc(Cl)s1)N(C)C(=O)c1ccc(-n2c(=O)[nH]c3cc(NC)c(F)cc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.33
▸ TP53 P04637 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ HTR3A P46098 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ F10 P00742 1/20 0.30

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
SCHEMBL12768895 0.87 P2RY12 (0.49) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL1639047 0.80 P2RY12 (0.54) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL12727435 0.80 P2RY12 (0.40) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL14273356 0.79 P2RY12 (0.40) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL27756396 0.79 P2RY12 (0.59) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL12727407 0.77 P2RY12 (0.56) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL1640668 0.76 P2RY12 (0.56) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL1640528 0.76 P2RY12 (0.56) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL13074285 0.75 P2RY12 (0.54) P2RY12SMN1; SMN2GAANPC1RXFP1
SCHEMBL12768890 0.75 P2RY12 (0.56) P2RY12SMN1; SMN2GAARXFP1TP53

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
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 — — EP disclosed
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