SCHEMBL3779528

SCHEMBL3779528

Cc1cccc2[nH]nc(C(=O)Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
MAPK6 Q16659 1/20 0.49
KDM4E B2RXH2 2/20 0.44
YTHDC1 Q96MU7 1/20 0.44
STAT3 P40763 1/20 0.44
HIF1A Q16665 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FLT3 P36888 5/20 0.42
ADRA2A P08913 1/20 0.42
MAP4K1 Q92918 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
KDR P35968 3/20 0.40
KIT P10721 2/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL570533 0.85 HAO1 (0.50) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
SCHEMBL2723270 0.83 MAP2K4 (0.49) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
Hydrochloric Acid SCHEMBL9444673 0.83 HAO1 (0.49) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
SCHEMBL28192986 0.78 MAPK1 (0.54) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
SCHEMBL15154819 0.76 MAP2K4 (0.43) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
SCHEMBL28445675 0.73 MAPK1 (0.60) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
SCHEMBL12866145 0.73 MAP2K4 (0.51) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
SCHEMBL8404437 0.72 MAPK1 (0.54) MAP2K4MAPK1MAPKAPK2MAPK6KDM4E
SCHEMBL591861 0.72 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL9876004 0.72 GSK3B (0.55) MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
EP-2164848-A1 POLYMORPHIC FORM OF GRANISETRON BASE, METHODS FOR OBTAINING IT AND FORMULATION CONTAINING IT INKE, S.A. (ES) 2010-03-24 EP disclosed
WO-2008151677-A1 POLYMORPHIC FORM OF GRANISETRON BASE, METHODS FOR OBTAINING IT AND FORMULATION CONTAINING IT INKE, S.A. (ES) 2008-12-18 WO disclosed
WO-2007088557-A1 PROCESS FOR HIGHLY PURE CRYSTALLINE GRANISETRON BASE NATCO PHARMA LIMITED (IN) 2007-08-09 WO disclosed
WO-2007054784-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GRANISETRON HYDROCHLORIDE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-05-18 WO disclosed
EP-1487833-A1 PROCESS FOR PREPARING A PHARMACEUTICALLY ACTIVE COMPOUND (GRANISETRON) LABORATORIOS VITA, S.A. (ES) 2004-12-22 EP disclosed
WO-2003080606-A1 PROCESS FOR PREPARING A PHARMACEUTICALLY ACTIVE COMPOUND (GRANISETRON) LABORATORIOS VITA, S.A. (ES) 2003-10-02 WO disclosed
EP-0748321-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1996-12-18 EP disclosed
WO-1995023799-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1995-09-08 WO disclosed
EP-0566609-A1 AZABICYDIC AND AZATRICYDIC DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1993-10-27 EP disclosed
US-5246945-A 5-hydroxytryptamine antagonist for nervous system disorders NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-09-21 US disclosed
EP-0200444-A2 Azabicyclononyl-indazole-carboxamide having 5-HT antagonist activity BEECHAM GROUP PLC (GB) 1986-11-05 EP disclosed