SCHEMBL2781663

SCHEMBL2781663

Nc1nc2cccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4Cl)cc3)c2o1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 13/20 0.54
STK39 Q9UEW8 3/20 0.50
KDR P35968 2/20 0.49
CTSD P07339 1/20 0.48
PARG Q86W56 3/20 0.47

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
SCHEMBL2781668 0.89 PNLIP (0.54) PNLIPSTK39KDRCTSDPARG
SCHEMBL2780259 0.89 PNLIP (0.57) PNLIPSTK39KDRCTSDPARG
SCHEMBL1005838 0.82 PNLIP (0.56) PNLIPSTK39KDRPARG
SCHEMBL12975008 0.82 PNLIP (0.47) PNLIPSTK39KDRCTSDPARG
SCHEMBL2761675 0.79 PNLIP (0.65) PNLIPSTK39PARG
SCHEMBL3119613 0.71 PNLIP (0.57) PNLIPSTK39
SCHEMBL2762118 0.71 G6PD (0.62) PNLIPSTK39PARG
SCHEMBL12952608 0.71 PNLIP (0.56) PNLIPSTK39PARG
SCHEMBL23685887 0.70 PNLIP (0.81) PNLIPSTK39PARG
SCHEMBL8661386 0.70 GCGR (0.87) PNLIPSTK39PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010149310-A1 DI-SUBSTITUTED PHENYLOXY(THIO)PHENYLAMIDE BENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed
WO-2010149310-A1 DI-SUBSTITUTED PHENYLOXY(THIO)PHENYLAMIDE BENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed