SCHEMBL20187439

SCHEMBL20187439

CCS(=O)(=O)c1cc(Br)cnc1-c1cn2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 12/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
FFAR1 O14842 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCD O00767 1/20 0.32

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
SCHEMBL21925165 0.91 PARP1 (0.37) DDR1NPC1RAB9APARP1FFAR1
SCHEMBL19341929 0.88 DDR1 (0.37) DDR1NPC1RAB9AKDM4EFFAR1
SCHEMBL20209681 0.86 FFAR1 (0.39) DDR1NPC1RAB9APARP1KDM4E
SCHEMBL20209536 0.85 SCD (0.43) DDR1NPC1RAB9APARP1KDM4E
SCHEMBL20209492 0.84 DDR1 (0.35) DDR1NPC1RAB9APARP1FFAR1
SCHEMBL20829884 0.84 PARP1 (0.35) DDR1NPC1RAB9APARP1FFAR1
SCHEMBL20209530 0.84 TRPA1 (0.37) DDR1NPC1RAB9APARP1FFAR1
SCHEMBL20209680 0.84 DDR1 (0.37) DDR1NPC1RAB9APARP1FFAR1
SCHEMBL20209282 0.83 TRPA1 (0.39) DDR1NPC1RAB9APARP1KDM4E
SCHEMBL17732142 0.82 DDR1 (0.33) DDR1NPC1RAB9AKDM4EPLA2G1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018095795-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-31 WO disclosed