SCHEMBL11079618

SCHEMBL11079618

CCn1c(-c2ccc(OC)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.52
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 8/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
GAA P10253 2/20 0.50
MAPK9 P45984 1/20 0.50
MAPK14 Q16539 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CNR2 P34972 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
HSD17B10 Q99714 3/20 0.46
HPGD P15428 3/20 0.46

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
SCHEMBL11079355 0.88 ALDH1A1 (0.55) KDM4EALDH1A1NPSR1LMNATSHR
SCHEMBL11086321 0.87 GRIK2 (0.52) GRIK2KDM4EALDH1A1NPSR1LMNA
SCHEMBL11026052 0.86 ALDH1A1 (0.50) KDM4EALDH1A1NPSR1LMNATSHR
SCHEMBL11290683 0.86 GRIK2 (0.47) GRIK2KDM4ENPSR1GAAMAPT
SCHEMBL11077028 0.86 NLRP3 (0.55) KDM4EALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL11089329 0.85 KDM4E (0.65) KDM4EALDH1A1NPSR1LMNATSHR
SCHEMBL11074861 0.85 TLR7 (0.52) KDM4EALDH1A1NPSR1LMNATSHR
SCHEMBL11435483 0.84 PTGER4 (0.51) KDM4EALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL11073152 0.84 HSD17B10 (0.44) KDM4EALDH1A1TSHRGAASMN1; SMN2
SCHEMBL11073129 0.83 PARP1 (0.55) KDM4EALDH1A1NPSR1LMNATSHR

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