SCHEMBL4033463

SCHEMBL4033463

CC(C)(C)OC(=O)c1cccc2[nH]c(CCl)nc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.43
RIPK1 Q13546 2/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
CHEK1 O14757 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL7154842 0.90 PARP1 (0.42) PARP1RIPK1PKN1PKN2CHEK1
SCHEMBL6951344 0.87 PARP1 (0.43) PARP1RIPK1PKN1PKN2CHEK1
SCHEMBL6841804 0.85 PKN1 (0.57) PARP1RIPK1PKN1PKN2CHEK1
SCHEMBL7485575 0.83 CHEK1 (0.52) PARP1RIPK1PKN1PKN2CHEK1
SCHEMBL7023067 0.83 PARP1 (0.41) PARP1RIPK1PKN1PKN2CHEK1
SCHEMBL2340373 0.81 PARP1 (0.55) PARP1RIPK1PKN1PKN2KDM4E
SCHEMBL7333705 0.81 PARP1 (0.62) PARP1RIPK1PKN1PKN2KDM4E
SCHEMBL7459692 0.81 CACNA1B (0.42)
SCHEMBL7376396 0.81 CACNA1B (0.42) PARP1
SCHEMBL22638044 0.80 PARP1 (0.49) PARP1RIPK1PKN1PKN2KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
EP-1465889-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-05-14 EP disclosed
EP-1796716-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2007-06-20 EP disclosed
EP-1628533-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-03-01 EP disclosed
WO-2006020891-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2006-02-23 WO disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004106493-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-12-09 WO disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 EP disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 WO disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
EP-1176958-A4 NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS MERCK & CO INC (US) 2002-07-17 EP disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 WO disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
EP-1176958-A1 NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS Merck & Co., Inc. (US) 2002-02-06 EP disclosed
US-6191273-B1 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS ISIS PHARMACEUTICALS, INC. 2001-02-20 US disclosed
WO-2000066120-A1 NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS MERCK & CO., INC. (US) 2000-11-09 WO disclosed
WO-1999011612-A2 SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed