SCHEMBL11079355

SCHEMBL11079355

CCCCn1c(-c2ccc(OC)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 8/20 0.55
GAA P10253 5/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
TLR8 Q9NR97 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CASR P41180 2/20 0.53
PDE4B Q07343 1/20 0.50
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPK9 P45984 1/20 0.47
MAPK14 Q16539 1/20 0.47
TLR7 Q9NYK1 1/20 0.46
NPC1 O15118 2/20 0.45
CNR2 P34972 2/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL11076799 0.88 CASR (0.50) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL11079618 0.88 GRIK2 (0.52) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL11076876 0.88 TLR8 (0.62) ALDH1A1KDM4ETSHRTLR8CASR
SCHEMBL11026052 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL11089329 0.81 KDM4E (0.65) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL11074861 0.81 TLR7 (0.52) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL11073129 0.81 PARP1 (0.55) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL28288759 0.81 TLR8 (0.51) ALDH1A1KDM4ETSHRTLR8CASR
SCHEMBL11078342 0.80 TLR8 (0.54) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL11078944 0.78 MAPK9 (0.50) ALDH1A1KDM4EGAATSHRLMNA

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 3 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-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
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