SCHEMBL9953547

SCHEMBL9953547

CC[S+]([O-])c1cccc(C)c1-c1nccn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
HTR2C P28335 2/20 0.34
FLT1 P17948 1/20 0.32
CDK8 P49336 1/20 0.32
CDK9 P50750 1/20 0.32
LIMK1 P53667 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HTR2A P28223 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FFAR1 O14842 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 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
SCHEMBL9953170 0.83 SCN9A (0.32) BRD4HTR2CHSD17B10L3MBTL1MEN1
SCHEMBL9952869 0.81 HTR2C (0.30) HTR2C
SCHEMBL9951940 0.80
SCHEMBL9953831 0.74 OPRK1 (0.34) HTR2CNPC1RAB9A
Hydrochloric Acid SCHEMBL4349752 0.70 BRD4 (0.45) BRD4HTR2CFLT1CDK8CDK9
SCHEMBL9952037 0.69 OPRK1 (0.32)
SCHEMBL9952781 0.69 OPRK1 (0.32) NPC1RAB9A
SCHEMBL6320850 0.68 TRPA1 (0.37)
SCHEMBL21895289 0.68 KDM4E (0.32) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL3882276 0.68 ACHE (0.39) HSD17B10

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-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 WO disclosed