SCHEMBL11076859

SCHEMBL11076859

CNc1ccc(-c2nc3c4ccc(OC)cc4ccc3n2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.44
PARP1 P09874 1/20 0.44
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 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
Hydrochloric Acid SCHEMBL11086416 0.89 PARP1 (0.51) PARP1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL11076059 0.85 TLR7 (0.48) PARP1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL11078271 0.83 PARP1 (0.50) PARP1RAB9AKDM4EALDH1A1LMNA
SCHEMBL11086406 0.81 PARP1 (0.46) PARP1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL11081129 0.81 PARP1 (0.48) PARP1RAB9AKDM4EALDH1A1GLA
SCHEMBL11083854 0.80 PARP1 (0.46) PARP1SHMT2ADORA3ADORA2AADORA1
Hydrochloric Acid SCHEMBL11077145 0.80 PARP1 (0.52) PARP1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL11083844 0.80 TLR7 (0.47) APPPARP1RAB9AKDM4EALDH1A1
SCHEMBL11440865 0.80 APP (0.47) APPPARP1RAB9AKDM4EALDH1A1
SCHEMBL11078229 0.80 PARP1 (0.47) PARP1KDM4EALDH1A1HSD17B10GAA

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
US-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed