SCHEMBL474259

SCHEMBL474259

O=CC(Br)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.46
FFAR1 O14842 1/20 0.36
PDE2A O00408 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM1A O60341 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL20551077 1.00 KIF11 (0.46) KIF11FFAR1PDE2ATRPM8CYP11B1
SCHEMBL20551738 0.86 KIF11 (0.36) KIF11
SCHEMBL2339031 0.86 KIF11 (0.36) KIF11
SCHEMBL998053 0.80 CES2 (0.42)
SCHEMBL27664098 0.79 KIF11 (0.46) KIF11FFAR1PDE2A
SCHEMBL20551343 0.78 KDR (0.41)
SCHEMBL1726228 0.78 KDR (0.41)
SCHEMBL1701126 0.77 SHBG (0.50)
SCHEMBL4063849 0.77 KDM1A (0.33) KIF11KDM1A
SCHEMBL27845247 0.77 KIF11 (0.42) KIF11FFAR1PDE2ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
EP-2411396-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 WO disclosed