SCHEMBL697433

SCHEMBL697433

C=C(c1ccc(C)c(Cl)c1)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KMO O15229 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL697919 0.88 NPC1 (0.44) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL697587 0.86 KMT2A (0.42) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL697991 0.82 CYP1A2 (0.41) NPC1RAB9AKMT2AKDM4ETP53
SCHEMBL703290 0.79 NPC1 (0.44) NPC1RAB9AKDM4EALDH1A1
SCHEMBL712135 0.78 NPC1 (0.65) NPC1RAB9AKMT2AKDM4ETP53
SCHEMBL27845585 0.76 KMT2A (0.37) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL696226 0.76 KMT2A (0.41) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL1573195 0.76 NPC1 (0.46) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL696628 0.74 NPC1 (0.47) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL702086 0.73 KMT2A (0.46) NPC1RAB9AKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed