SCHEMBL7980321

SCHEMBL7980321

O=C1Nc2ccccc2[N]c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
LRRK2 Q5S007 3/20 0.55
FER P16591 2/20 0.55
ACVR1 Q04771 2/20 0.55
PDGFRA P16234 1/20 0.55
LTK P29376 1/20 0.55
CDK8 P49336 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
GSK3B P49841 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CDK5 Q00535 4/20 0.43
CDK2 P24941 4/20 0.43
PLK4 O00444 3/20 0.43
AURKA O14965 3/20 0.43

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
SCHEMBL555451 0.79 GSK3B (0.52) MAPTLMNAGAALRRK2FER
SCHEMBL21296775 0.79 GSK3B (0.52) MAPTLMNAGAALRRK2FER
SCHEMBL554552 0.79 MAPT (0.46) MAPTLMNAGAALRRK2FER
SCHEMBL8919879 0.79 CYP1A2 (0.57) MAPTLMNAGAALRRK2FER
SCHEMBL8919947 0.79 CYP1A2 (0.57) MAPTLMNAGAALRRK2FER
SCHEMBL240371 0.78 MAPT (0.43) MAPTLMNAGAALRRK2FER
SCHEMBL3541281 0.76 GSK3B (0.48) MAPTLMNAGAALRRK2FER
SCHEMBL2203198 0.76 LRRK2 (0.50) MAPTLMNAGAALRRK2FER
SCHEMBL2420711 0.75 LRRK2 (0.90) MAPTLMNALRRK2FERACVR1
SCHEMBL366728 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US claimed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP claimed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed