SCHEMBL3834640

SCHEMBL3834640

N#Cc1ccc2c(=O)n(-c3ccc(NC(C(=O)O)c4ccc(Cl)s4)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.33
▸ GRM1 Q13255 2/20 0.33
▸ NCEH1 Q6PIU2 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ F2 P00734 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAU P00749 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ G6PD P11413 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL1639790 0.88 F10 (0.35) MIFGRM1NCEH1F2PLG
SCHEMBL3835105 0.85 ROCK2 (0.36) F2PRSS1
SCHEMBL3834826 0.84 F10 (0.34) F2
SCHEMBL3839792 0.84 EGFR (0.34) MIFGRM1
SCHEMBL3836616 0.84 MEN1 (0.34) GRM1
SCHEMBL3837178 0.79 P2RY12 (0.40) GRM1
SCHEMBL3842545 0.77 LMNA (0.38) —
SCHEMBL1640705 0.74 F10 (0.36) F2
SCHEMBL14273367 0.74 F10 (0.36) F2
SCHEMBL12727585 0.74 F10 (0.38) F2

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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