SCHEMBL5314730

SCHEMBL5314730

COCCN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(SC(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
TRPA1 O75762 3/20 0.35
RAB9A P51151 2/20 0.34
RXFP1 Q9HBX9 2/20 0.33
MLYCD O95822 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP1A2 P05177 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
POLB P06746 1/20 0.32
KCNK2 O95069 2/20 0.31
KCNK10 P57789 1/20 0.31
NPC1 O15118 1/20 0.31
PPIA P62937 1/20 0.31
ATM Q13315 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 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
SCHEMBL5312106 0.91 TRPA1 (0.35) KMT2AMEN1TRPA1RAB9ARXFP1
SCHEMBL5314313 0.89 TRPA1 (0.34) KMT2AMEN1TRPA1RAB9ACYP1A2
SCHEMBL4160284 0.88 TRPA1 (0.39) KMT2AMEN1TRPA1RAB9ARXFP1
SCHEMBL5318426 0.86 TRPA1 (0.34) TRPA1RAB9ACYP1A2NPC1ATM
SCHEMBL5314653 0.86 TRPA1 (0.36) KMT2AMEN1TRPA1RAB9ARXFP1
SCHEMBL5316923 0.85 TRPA1 (0.36) KMT2AMEN1TRPA1RAB9ARXFP1
SCHEMBL5389734 0.85 TLR7 (0.39) RAB9APOLBNPC1
SCHEMBL5312164 0.83 TRPA1 (0.33) KMT2ATRPA1RAB9ACYP1A2POLB
SCHEMBL5314713 0.83 TRPA1 (0.34) KMT2AMEN1TRPA1RAB9ACYP1A2
SCHEMBL5314883 0.83 MEN1 (0.33) KMT2AMEN1RXFP1

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