SCHEMBL9952936

SCHEMBL9952936

CCCSc1cccc(C(F)(F)F)c1-c1nccn1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
APLNR P35414 1/20 0.35
HSD11B1 P28845 5/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRK1 P41145 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
SCD O00767 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
SCHEMBL9953787 0.83 PTPN1 (0.40) NPC1RAB9AHSD11B1KDM4EALDH1A1
SCHEMBL9952788 0.81 HSD11B1 (0.33) NPC1RAB9AHSD11B1KDM4EALDH1A1
SCHEMBL9953917 0.80 CBLB (0.36) NPC1RAB9AHSD11B1KDM4EALDH1A1
SCHEMBL9952318 0.79 ALDH1A1 (0.35) NPC1RAB9AKDM4EALDH1A1HTR2C
SCHEMBL9952650 0.78 P2RX7 (0.36) NPC1RAB9AKDM4EALDH1A1HTR2C
SCHEMBL9952807 0.75 HTR2C (0.34) NPC1RAB9AKDM4EALDH1A1HTR2C
SCHEMBL9953831 0.74 OPRK1 (0.34) NPC1RAB9AHSD11B1OPRK1HTR2C
SCHEMBL9953333 0.73 HTR2C (0.33) NPC1RAB9AKDM4EALDH1A1HTR2C
SCHEMBL9952055 0.73 P2RX7 (0.34) ARTP53
SCHEMBL9952851 0.72 TP53 (0.33) ARTP53

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