SCHEMBL11099196

SCHEMBL11099196

Cn1c(-c2ccc(O)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.49
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TLR8 Q9NR97 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
PARP1 P09874 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD11B1 P28845 1/20 0.39
PTGS1 P23219 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
Acetic Acid SCHEMBL11441487 0.93 TLR7 (0.47) TLR7ALDH1A1NPC1KDM4ETP53
Propionic Acid SCHEMBL11443158 0.90 TLR7 (0.44) TLR7ALDH1A1NPC1KDM4ETLR8
SCHEMBL11184964 0.88 TLR7 (0.51) TLR7ALDH1A1NPC1KDM4ETP53
SCHEMBL9611690 0.88 TLR7 (0.61) TLR7ALDH1A1NPC1KDM4ETP53
SCHEMBL11448854 0.85 TLR7 (0.49) TLR7ALDH1A1NPC1KDM4ETP53
SCHEMBL11184987 0.85 NPC1 (0.57) TLR7ALDH1A1NPC1KDM4ETP53
SCHEMBL11434898 0.85 TLR7 (0.49) TLR7ALDH1A1NPC1KDM4ETP53
SCHEMBL16692216 0.85 TLR7 (0.49) TLR7ALDH1A1NPC1KDM4ETP53
SCHEMBL16692201 0.84 TLR7 (0.48) TLR7ALDH1A1NPC1KDM4ETP53
SCHEMBL16692144 0.84 TLR7 (0.48) TLR7ALDH1A1NPC1KDM4ETP53

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 5 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
US-4389525-A Process for the resolution of some interphenylene 9-thia-11-oxo-12-azaprostanoic acids MERCK & CO., INC. (US) 1983-06-21 US disclosed
EP-0012866-B1 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) 1983-01-19 EP disclosed
US-4340607-A Antimicrobial 3H-naphtho[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-07-20 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