SCHEMBL9952001

SCHEMBL9952001

CCSc1cccc(I)c1-c1nccn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
BRD4 O60885 1/20 0.34
HTR2A P28223 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 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
SCHEMBL9952864 0.84 HTR2C (0.37) HTR2CBRD4HTR2ARAB9AALDH1A1
SCHEMBL9953820 0.83 HTR2C (0.36) HTR2CBRD4HTR2ARAB9AALDH1A1
SCHEMBL9951932 0.83 ALDH1A1 (0.38) HTR2CBRD4HTR2ARAB9AALDH1A1
SCHEMBL9952318 0.81 ALDH1A1 (0.35) HTR2CBRD4HTR2ARAB9AALDH1A1
SCHEMBL9952807 0.80 HTR2C (0.34) HTR2CBRD4HTR2ARAB9AALDH1A1
SCHEMBL9953333 0.78 HTR2C (0.33) HTR2CBRD4HTR2ARAB9AALDH1A1
SCHEMBL9952034 0.77 BRD4 (0.47) HTR2CBRD4HTR2AALDH1A1TP53
SCHEMBL9952060 0.75 ALDH1A1 (0.40) HTR2CHTR2AALDH1A1MAPTPOLB
SCHEMBL9952936 0.70 NPC1 (0.35) HTR2CRAB9AALDH1A1MAPTTP53
SCHEMBL28063013 0.67 NPC1 (0.41) HTR2CBRD4RAB9AKMT2AKDM4E

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