SCHEMBL14546151

SCHEMBL14546151

CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(S(C(F)F)(C(F)F)C(F)(F)F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
TRPA1 O75762 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.33
RORC P51449 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PPIA P62937 1/20 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
SCHEMBL4150093 0.86 KMT2A (0.39) KMT2AMEN1TRPA1CYP3A4CYP2C9
SCHEMBL4150636 0.84 KMT2A (0.36) KMT2AMEN1TRPA1CYP3A4CYP2C9
SCHEMBL4908707 0.78 IL2 (0.44) TRPA1RORCCYP1A2TLR7
SCHEMBL13774583 0.78 RAB9A (0.36) KMT2AMEN1TRPA1RORCCYP1A2
SCHEMBL4913867 0.77 MAPT (0.42) KMT2AMEN1TRPA1USP2MAPT
SCHEMBL4142017 0.77 TRPA1 (0.33) KMT2AMEN1TRPA1USP2MAPT
SCHEMBL14546320 0.77 ATM (0.49) KMT2AMEN1TRPA1USP2MAPT
SCHEMBL13774520 0.77 MEN1 (0.41) KMT2AMEN1TRPA1RORCRAB9A
SCHEMBL4145038 0.77 ATM (0.35) KMT2AMEN1TRPA1USP2MAPT
SCHEMBL4148243 0.76 RORC (0.35) KMT2AMEN1TRPA1USP2MAPT

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-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO disclosed