SCHEMBL6208612

SCHEMBL6208612

[B]c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
NOTUM Q6P988 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL5319234 0.86 CTNNB1 (0.41) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL423132 0.73 KIF11 (0.40) KIF11
SCHEMBL397438 0.73 MAPT (0.55) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL13962152 0.73 KIF11 (0.40) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL993766 0.73 KIF11 (0.40) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL316417 0.73 AHR (0.50) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL6442096 0.73 AHR (0.50) KIF11
SCHEMBL1765169 0.73 CYP3A4 (0.45) KIF11CTNNB1WNT3A
SCHEMBL6600310 0.70 CETP (0.39) KIF11CTNNB1WNT3A
SCHEMBL848935 0.69 ALOX5 (0.38) KIF11CTNNB1WNT3A

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
EP-1501786-A1 BIPHENYL CARBOXAMIDES Bayer CropScience AG (DE) 2005-02-02 EP disclosed
WO-2003093223-A1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-13 WO disclosed