SCHEMBL7440281

SCHEMBL7440281

O=C1/C=C\C=C/c2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
GAA P10253 1/20 0.56
GSK3B P49841 2/20 0.36
GSK3A P49840 1/20 0.36
CCR6 P51684 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PDGFRA P16234 1/20 0.34
FER P16591 1/20 0.34
LTK P29376 1/20 0.34
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
LRRK2 Q5S007 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CES1 P23141 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX4 Q99571 1/20 0.34
PDK2 Q15119 2/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL7440282 1.00 MAPT (0.56) MAPTGAAGSK3BGSK3ACCR6
SCHEMBL8874013 0.76 GSK3B (0.56) MAPTGAAGSK3BGSK3ACCR6
SCHEMBL8874017 0.76 GSK3B (0.56) MAPTGAAGSK3BGSK3ACCR6
SCHEMBL124177 0.75 MAPT (0.50) MAPTGAAGSK3BMAOAMAOB
SCHEMBL4787144 0.75 MAPT (0.50) MAPTGAAGSK3BMAOAMAOB
Iminostilbene SCHEMBL29926907 0.73 MAPT (1.00) MAPTGAAMAOAMAOBPDGFRA
Iminostilbene SCHEMBL75288 0.73 MAPT (1.00) MAPTGAAMAOAMAOBPDGFRA
SCHEMBL6204413 0.72 MAPT (0.48) MAPTGAAMAOAMAOBPDGFRA
SCHEMBL6204410 0.72 MAPT (0.48) MAPTGAAMAOAMAOBPDGFRA
SCHEMBL16635468 0.72 MAPT (0.48) MAPTGAAGSK3BMAOAMAOB

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-0119161-B1 BENZAZOCINONE AND BENZAZONINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1989-06-28 EP claimed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed
EP-0119161-B1 BENZAZOCINONE AND BENZAZONINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed
US-4537885-A SUBSTITUTED 1-CARBOXY-3-(CARBOXYMETHYLAMINO)-2-ONE DERIVATIVES, ANGIOTENSIN CONVERTING ENZYME INHIBITORS CIBA GEIGY CORPORATION (US) 1985-08-27 US disclosed
EP-0119161-A2 Benzazocinone and benzazoninone derivatives, process for their preparation, pharmaceutical preparations containing these compounds, and their therapeutical use CIBA-GEIGY AG (CH) 1984-09-19 EP disclosed