SCHEMBL703336

SCHEMBL703336

C=C(c1ccc(C(F)(F)F)cc1)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
FPR2 P25090 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PDE2A O00408 1/20 0.37
TLR7 Q9NYK1 3/20 0.36
TLK2 Q86UE8 1/20 0.35
KIF11 P52732 1/20 0.35
SRD5A2 P31213 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 1/20 0.35
GSK3B P49841 2/20 0.34
PTPN1 P18031 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
SCHEMBL696858 0.82 CES2 (0.45) NPC1RAB9ACES2TLR7SRD5A2
SCHEMBL2717104 0.81 NPC1 (0.67) NPC1RAB9AFPR2CES2CES1
SCHEMBL712135 0.78 NPC1 (0.65) NPC1RAB9ACES2CES1KDM4E
SCHEMBL697784 0.78 MTOR (0.47) NPC1RAB9AKDM4EALDH1A1
SCHEMBL1507800 0.74 CYP19A1 (0.41) NPC1RAB9AKDM4EALDH1A1GSK3B
SCHEMBL28243558 0.74 CES2 (0.58) CES2CES1KIF11SRD5A2ALDH1A1
SCHEMBL11137294 0.74 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1
SCHEMBL698757 0.72 KMT2A (0.43) NPC1RAB9ATLK2CNR2
SCHEMBL706123 0.71 NPC1 (0.37) NPC1RAB9ACES2CES1
SCHEMBL697587 0.71 KMT2A (0.42) NPC1RAB9ASRD5A2KDM4EALDH1A1

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