SCHEMBL9762783

SCHEMBL9762783

[CH2]c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
LTA4H P09960 1/20 0.50
PDE10A Q9Y233 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN9A Q15858 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39

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
SCHEMBL11143982 0.89 PTGS2 (0.57) PTGS2LTA4HPDE10AKDM4EHRH3
SCHEMBL3242252 0.83 LTA4H (0.42) PTGS2LTA4HPDE10AKDM4ELMNA
SCHEMBL147539 0.83 LOXL2 (0.52) PTGS2LTA4HPDE10AKDM4ETLR4
SCHEMBL29610302 0.83 LOXL2 (0.52) PTGS2LTA4HPDE10AKDM4ETLR4
SCHEMBL8510667 0.81 LTA4H (0.50) PTGS2LTA4HPDE10AKDM4ETLR4
SCHEMBL5443693 0.81 LTA4H (0.50) PTGS2LTA4HPDE10AKDM4ETLR4
SCHEMBL5686657 0.80 LTA4H (0.54) PTGS2LTA4HPDE10AKDM4EHRH3
SCHEMBL3985514 0.80 L3MBTL1 (0.54) PTGS2LTA4HPDE10AKDM4EMAPK1
SCHEMBL10753672 0.80 PTGS2 (0.50) PTGS2LTA4HPDE10AKDM4EHRH3
SCHEMBL568653 0.80 LTA4H (0.50) PTGS2LTA4HPDE10AKDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
US-4992453-A Certain thioimidate and amidine insecticides ICI AMERICAS INC. (US) 1991-02-12 US disclosed
US-4931448-A Thiomidate insecticides ICI AMERICAS INC. (US) 1990-06-05 US disclosed
EP-0317266-A2 Novel thioimidate and amidine insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed