SCHEMBL4637632

SCHEMBL4637632

CN(C(=O)NC(=O)c1cccc(F)c1F)c1ccc(SC(F)(F)C(F)(F)F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
KAT6A Q92794 2/20 0.32
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
EPHX2 P34913 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL4636754 0.94 ALDH1A1 (0.32) CES2BCHECES1KAT6AALDH1A1
SCHEMBL4637507 0.92 RXFP1 (0.35) CES2BCHECES1KAT6ANPC1
SCHEMBL4151007 0.88 TRPA1 (0.33) NPC1MAPT
SCHEMBL4636118 0.86 CES2 (0.33) CES2BCHECES1KAT6ANPC1
SCHEMBL4636733 0.84 CES2 (0.33) CES2BCHECES1KAT6A
SCHEMBL4636710 0.84 CYP11B1 (0.33) ALDH1A1GPBAR1
SCHEMBL4636185 0.82 CES2 (0.33) CES2BCHECES1KAT6A
SCHEMBL4636412 0.82 CES2 (0.34) CES2BCHECES1GPBAR1
SCHEMBL4163009 0.82 KMT2A (0.34) NPC1ALDH1A1MAPT
SCHEMBL4636792 0.81 CYP11B1 (0.35) MAPTGPBAR1

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-1937629-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO disclosed