SCHEMBL14273356

SCHEMBL14273356

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.34
▸ HTR3A P46098 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ F10 P00742 1/20 0.31

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
SCHEMBL12727435 0.94 P2RY12 (0.40) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12768895 0.92 P2RY12 (0.49) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL1639047 0.82 P2RY12 (0.54) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12727437 0.81 P2RY12 (0.44) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12727501 0.80 P2RY12 (0.42) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL15624190 0.79 P2RY12 (0.49) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12727407 0.78 P2RY12 (0.56) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL12768890 0.78 P2RY12 (0.56) P2RY12SMN1; SMN2GAATP53MAPT
SCHEMBL12727503 0.78 P2RY12 (0.42) P2RY12SMN1; SMN2GAANPC1TP53
SCHEMBL1640668 0.77 P2RY12 (0.56) P2RY12SMN1; SMN2GAANPC1TP53

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
Send feedback