SCHEMBL3838472

SCHEMBL3838472

CNc1cc2c(cc1F)C(=O)N(c1ccc(NC(C(=O)O)c3cccs3)cc1)CO2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.31
MAPK14 Q16539 2/20 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
SCHEMBL1640156 0.89 TSHR (0.34) TP53MAPK14
SCHEMBL3833888 0.87 KMT2A (0.33) MAPTTP53MAPK14
SCHEMBL3841699 0.87 KMT2A (0.33) MAPTTP53MAPK14
SCHEMBL3840521 0.86 F10 (0.38)
SCHEMBL3836155 0.86 F10 (0.38)
SCHEMBL3844470 0.85 TP53 (0.35) TP53MAPK14
SCHEMBL27756389 0.84 CYP3A4 (0.37) MAPTMAPK14
SCHEMBL3840948 0.83 KEAP1 (0.34) TP53
SCHEMBL3840059 0.80 ADORA2A (0.37) MAPTMAPK14
SCHEMBL3834322 0.80 ADORA2A (0.37) MAPTMAPK14

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