SCHEMBL9953333

SCHEMBL9953333

CCSc1cccc(CC(F)(F)F)c1-c1nccn1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.31
ELANE P08246 1/20 0.31
HTR2A P28223 1/20 0.31
KMT2A Q03164 2/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
MC4R P32245 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL9952807 0.82 HTR2C (0.34) HTR2CRAB9ANPC1POLBALDH1A1
SCHEMBL9952864 0.79 HTR2C (0.37) HTR2CRAB9ANPC1THRBPOLB
SCHEMBL9952318 0.79 ALDH1A1 (0.35) HTR2CRAB9ANPC1POLBALDH1A1
SCHEMBL9951932 0.78 ALDH1A1 (0.38) HTR2CRAB9ANPC1THRBPOLB
SCHEMBL9952001 0.78 HTR2C (0.36) HTR2CRAB9ANPC1THRBPOLB
SCHEMBL9953820 0.78 HTR2C (0.36) HTR2CRAB9ANPC1POLBALDH1A1
SCHEMBL9952034 0.74 BRD4 (0.47) HTR2CNPC1THRBALDH1A1KDM4E
SCHEMBL9952936 0.73 NPC1 (0.35) HTR2CRAB9ANPC1ALDH1A1KDM4E
SCHEMBL9952060 0.73 ALDH1A1 (0.40) HTR2CPOLBALDH1A1KDM4EMAPT
SCHEMBL29755406 0.70 NPC1 (0.41) HTR2CRAB9ANPC1ALDH1A1KDM4E

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