SCHEMBL5312833

SCHEMBL5312833

COCN(C(=O)NC(=O)c1cccc(F)c1F)c1ccc([S+]([O-])C(F)(F)F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CES2 O00748 1/20 0.30
BCHE P06276 1/20 0.30
CES1 P23141 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5316126 0.80 KAT6A (0.35) KAT6AKDM4EHPGDALDH1A1
SCHEMBL4636303 0.76 KAT6A (0.31) KAT6ACES2BCHECES1
SCHEMBL4148243 0.74 RORC (0.35)
SCHEMBL5311615 0.73 TRPA1 (0.44) KDM4EHPGD
SCHEMBL5315040 0.73 RXFP1 (0.35)
SCHEMBL4636198 0.72 CES2 (0.34) HPGDCES2BCHECES1
SCHEMBL5316118 0.72 KMT2A (0.37) ALDH1A1
SCHEMBL5312106 0.71 TRPA1 (0.35)
SCHEMBL5314610 0.70 POLB (0.40) HPGDALDH1A1
SCHEMBL5425678 0.70 P2RX7 (0.38) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed