SCHEMBL191880

SCHEMBL191880

O=CC(Br)c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
CNR1 P21554 1/20 0.33
TPMT P51580 1/20 0.31
ACACB O00763 1/20 0.31
ERN1 O75460 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL579790 0.80 ACP3 (0.31)
SCHEMBL1440680 0.80 ACP3 (0.31)
SCHEMBL5319312 0.79 CNR1 (0.35) CNR1
SCHEMBL22590138 0.78 CYP2A6 (0.40) CNR1
SCHEMBL321965 0.78 CYP2A6 (0.40) CNR1
SCHEMBL20550831 0.76 IDO1 (0.38)
SCHEMBL21597319 0.76 CYP2A6 (0.42)
SCHEMBL21834675 0.76 ESR1 (0.44) CA1CA2
SCHEMBL168223 0.76 IDO1 (0.38)
SCHEMBL2468299 0.76 CYP2A6 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015017382-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2015-02-05 WO disclosed
EP-2768825-A2 PROCESSES FOR THE PREPARATION OF NOVEL BENZIMIDAZOLE DERIVATIVES Enanta Pharmaceuticals, Inc. (US) 2014-08-27 EP disclosed
WO-2013059281-A2 PROCESSES FOR THE PREPARATION OF NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2013052369-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
EP-2575819-A1 HEPATITIS C VIRUS INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
EP-2512480-A1 HEPATITIS C VIRUS INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
EP-2475256-A1 HEPATITIS C VIRUS INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2400846-A1 HEPATITIS C VIRUS INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
EP-1942899-A2 MITOTIC KINESIN INHIBITORS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed