SCHEMBL8128786

SCHEMBL8128786

O=c1[nH]c(=O)n(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
GAA P10253 2/20 0.54
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
NTRK1 P04629 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
MGLL Q99685 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
BCHE P06276 1/20 0.41

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
Potassium SCHEMBL11261679 0.97 GSK3A (0.52) GSK3AGSK3BGAADDB1CRBN
SCHEMBL11430292 0.87 NAPRT (0.48) GSK3AGSK3BGAADDB1CRBN
SCHEMBL11255208 0.85 NAPRT (0.47) GSK3AGSK3BGAADDB1CRBN
SCHEMBL9359607 0.80 ALDH1A1 (0.47) GSK3AGSK3BMGLLSMN1; SMN2MEN1
SCHEMBL9867787 0.80 ALDH1A1 (0.47) GSK3AGSK3BMGLLSMN1; SMN2MEN1
SCHEMBL11271717 0.79 ALDH1A1 (0.46) GSK3AGSK3BMGLLSMN1; SMN2MEN1
SCHEMBL5198556 0.77 NTRK1 (0.72) GSK3AGSK3BGAADDB1CRBN
SCHEMBL9364231 0.76 SMN1; SMN2 (0.43) GAASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2337291 0.72 GSK3A (0.67) GSK3AGSK3BGAADDB1CRBN
SCHEMBL11711805 0.70 GSK3A (0.64) GSK3AGSK3BGAADDB1CRBN

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed