SCHEMBL4636285

SCHEMBL4636285

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.36
STAT3 P40763 2/20 0.34
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KAT6A Q92794 2/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RORC P51449 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL4157950 0.88 RORC (0.37) STAT3SLC7A5RORCGABRA1GABRG2
SCHEMBL4636561 0.86 NOTUM (0.39) PYGLSTAT3CES2BCHECES1
SCHEMBL4637507 0.77 RXFP1 (0.35) CES2BCHECES1ALDH1A1KAT6A
SCHEMBL4637632 0.75 CES2 (0.33) CES2BCHECES1ALDH1A1KAT6A
SCHEMBL4636733 0.74 CES2 (0.33) CES2BCHECES1KAT6A
SCHEMBL4150844 0.74 SLC7A5 (0.40) SLC7A5RORCGABRA1GABRG2GABRB3
SCHEMBL4154212 0.73 NOTUM (0.41) STAT3RORCKMT2ARAB9A
SCHEMBL4636754 0.73 ALDH1A1 (0.32) CES2BCHECES1ALDH1A1KAT6A
SCHEMBL4636520 0.73 KAT6A (0.38) CES2BCHECES1KAT6APOLB
SCHEMBL4636303 0.72 KAT6A (0.31) CES2BCHECES1KAT6A

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