SCHEMBL7043686

SCHEMBL7043686

OCc1c(C(F)(F)F)cc(Cl)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
S1PR1 P21453 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KIF11 P52732 1/20 0.31
AR P10275 4/20 0.31
PDXK O00764 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
XPO1 O14980 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
SCHEMBL29236658 0.85 AR (0.32) ARCYP11B1CYP11B2XPO1
SCHEMBL19018008 0.79 CTSK (0.36) GABRB3AR
SCHEMBL1710157 0.74 PDXK (0.39) ARPDXK
SCHEMBL30228756 0.74 PDXK (0.39) ARPDXK
SCHEMBL1787999 0.74 NOTUM (0.35) NOTUMJUNNFKB1NFKB2RELA
SCHEMBL903627 0.72 PDXK (0.42) PDXK
SCHEMBL3705107 0.71 KMT2A (0.40) PDXK
SCHEMBL29882499 0.71 KMT2A (0.40) PDXK
SCHEMBL20519121 0.71 PDXK (0.33) PDXK
SCHEMBL30107375 0.71 PDXK (0.33) PDXK

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-1296952-A1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-04-02 EP disclosed
WO-2002002527-A1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-01-10 WO disclosed