SCHEMBL3839792

SCHEMBL3839792

COc1ccc2c(=O)n(-c3ccc(NC(C(=O)O)c4ccc(Cl)s4)cc3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.34
▸ MIF P14174 1/20 0.34
▸ F10 P00742 2/20 0.34
▸ MAOB P27338 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ GRM1 Q13255 6/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL1640628 0.88 F10 (0.37) EGFRMIFF10MAPTTP53
SCHEMBL3836616 0.86 MEN1 (0.34) F10GRM1MAPTPOLBTHRB
SCHEMBL3835105 0.85 ROCK2 (0.36) F10MAPK8
SCHEMBL3834826 0.84 F10 (0.34) F10GAA
SCHEMBL3834640 0.84 MIF (0.33) MIFGRM1
SCHEMBL3837178 0.81 P2RY12 (0.40) F10GRM1
SCHEMBL12727585 0.76 F10 (0.38) F10TP53LMNA
SCHEMBL9922295 0.76 P2RY12 (0.48) F10MAOBMAPTPOLBTHRB
SCHEMBL1640705 0.74 F10 (0.36) F10KDM4EMAPK8
SCHEMBL1640301 0.74 F10 (0.39) F10KDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO claimed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
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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