SCHEMBL697991

SCHEMBL697991

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
KMO O15229 2/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
MC4R P32245 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL697587 0.83 KMT2A (0.42) ALDH1A1NPC1RAB9AKMOKDM4E
SCHEMBL697433 0.82 NPC1 (0.44) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL697919 0.79 NPC1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27845585 0.73 KMT2A (0.37) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL697121 0.73 TYK2 (0.43) MAPTNPC1RAB9ASMPD3KMT2A
SCHEMBL1573101 0.73 TYK2 (0.43) CYP1A2CYP3A4CYP2D6ALDH1A1MAPT
SCHEMBL696226 0.73 KMT2A (0.41) ALDH1A1NPC1RAB9AALOX15KDM4E
SCHEMBL6002654 0.73 SMPD3 (0.56) CYP1A2CYP3A4CYP2D6ALDH1A1MAPT
SCHEMBL697771 0.72 SMPD3 (0.42) CYP1A2CYP3A4CYP2D6ALDH1A1MAPT
SCHEMBL712135 0.71 NPC1 (0.65) ALDH1A1NPC1RAB9ATP53SMN1; SMN2

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