SCHEMBL9952063

SCHEMBL9952063

CCSc1ccccc1-c1cc(-c2nccn2C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.39
ALOX5AP P20292 1/20 0.39
HTR2C P28335 2/20 0.39
HDAC4 P56524 2/20 0.38
HTR2A P28223 1/20 0.37
HSD11B1 P28845 2/20 0.36
NR1I2 O75469 1/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
BRD4 O60885 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
EDNRA P25101 1/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL9952034 0.81 BRD4 (0.47) HTR2CHTR2ANPC1ATMLMNA
SCHEMBL9953585 0.78 ALOX5AP (0.44) FEN1ALOX5APHTR2CHDAC4HSD11B1
SCHEMBL9952060 0.74 ALDH1A1 (0.40) FEN1ALOX5APHTR2CHTR2ALMNA
SCHEMBL12320192 0.72 HDAC4 (0.43) HDAC4BRD4CCNCCDK8NMT1
SCHEMBL14960634 0.70 BRD4 (0.53) HTR2CHDAC4HTR2AHSD11B1LMNA
SCHEMBL28063013 0.70 NPC1 (0.41) HTR2CHDAC4NPC1BRD4CCNC
SCHEMBL14960646 0.69 TGFBR1 (0.50) HDAC4CCNCCDK8
SCHEMBL9952864 0.67 HTR2C (0.37) HTR2CHTR2ANPC1LMNABRD4
SCHEMBL30958568 0.67 NPC1 (0.47) FEN1ALOX5APNPC1ATMLMNA
SCHEMBL9952001 0.66 HTR2C (0.36) HTR2CHTR2ANPC1GABRG2GABRB3

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