SCHEMBL4414068

SCHEMBL4414068

O=C(OCCO)c1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.53
WNT3A P56704 7/20 0.53
MAOB P27338 5/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKG1 Q13976 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SGK2 Q9HBY8 1/20 0.44
STK17A Q9UEE5 1/20 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
SCHEMBL6017068 0.86 CTNNB1 (0.53) CTNNB1WNT3AMAOBNPC1RAB9A
SCHEMBL145658 0.84 CTNNB1 (0.60) CTNNB1WNT3ANPC1RAB9AMEN1
SCHEMBL29925697 0.84 CTNNB1 (0.60) CTNNB1WNT3ANPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL9959381 0.83 CTNNB1 (0.59) CTNNB1WNT3ANPC1RAB9AMEN1
SCHEMBL29643714 0.79 NPC1 (0.58) CTNNB1WNT3AMAOBNPC1RAB9A
SCHEMBL348190 0.79 NPC1 (0.58) CTNNB1WNT3AMAOBNPC1RAB9A
SCHEMBL465188 0.78 HRH3 (0.50) SLC6A2
SCHEMBL22529634 0.76 ROCK2 (0.53) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL30074092 0.75 CTNNB1 (0.53) CTNNB1WNT3AMAOBNPC1RAB9A
SCHEMBL27836080 0.75 CTNNB1 (0.53) CTNNB1WNT3AMAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP disclosed
EP-1628972-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP disclosed
WO-2004101556-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed