SCHEMBL9953787

SCHEMBL9953787

CSc1cccc(C(F)(F)F)c1-c1nccn1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
P2RX7 Q99572 1/20 0.36
HSD11B1 P28845 5/20 0.35
BRD4 O60885 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SCD O00767 1/20 0.34
OPRK1 P41145 2/20 0.33
USP1 O94782 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RORC P51449 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CBLB Q13191 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
SCHEMBL9952788 0.86 HSD11B1 (0.33) P2RX7HSD11B1BRD4NPC1RAB9A
SCHEMBL9953917 0.85 CBLB (0.36) HSD11B1BRD4NPC1RAB9ASCD
SCHEMBL9952936 0.83 NPC1 (0.35) HSD11B1NPC1RAB9ASCDOPRK1
SCHEMBL9952864 0.76 HTR2C (0.37) BRD4NPC1RAB9AKDM4EALDH1A1
SCHEMBL9952128 0.74 HSD11B1 (0.32) HSD11B1BRD4SCDOPRK1RORC
SCHEMBL7845615 0.73 HSD11B1 (0.60) HSD11B1BRD4KDM4EALDH1A1
SCHEMBL9952318 0.73 ALDH1A1 (0.35) BRD4NPC1RAB9AKDM4EALDH1A1
SCHEMBL9952650 0.72 P2RX7 (0.36) P2RX7NPC1RAB9AKDM4EALDH1A1
SCHEMBL9953831 0.71 OPRK1 (0.34) HSD11B1NPC1RAB9ASCDOPRK1
SCHEMBL3722934 0.69 BRD4 (0.37) BRD4NPC1RAB9AKDM4EALDH1A1

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