SCHEMBL7208992

SCHEMBL7208992

CC(C)Nc1nc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
COASY Q13057 1/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CBFB Q13951 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
PRKCZ Q05513 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
LCK P06239 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
F10 P00742 1/20 0.34
CYP1A2 P05177 1/20 0.33
MCHR1 Q99705 1/20 0.33
NR4A2 P43354 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7209326 0.81 RHEB (0.44) HTTCOASYCSNK2A2CSNK2BCSNK2A1
SCHEMBL7114594 0.79 CSNK2A2 (0.41) HTTCOASYCSNK2A2CSNK2BCSNK2A1
SCHEMBL7122586 0.78 CSNK2A2 (0.40) HTTCOASYCSNK2A2CSNK2BCSNK2A1
SCHEMBL7208967 0.77 ADORA1 (0.52) COASYCSNK2A2CSNK2BCSNK2A1ADORA3
SCHEMBL7903051 0.77 CSNK2A2 (0.49) HTTCOASYCSNK2A2CSNK2BCSNK2A1
SCHEMBL18922590 0.75 HTT (0.61) HTTCBFBHRH4ADORA3ADORA1
SCHEMBL29720357 0.73 GAA (0.49) HTTHRH4EGLN1KDM4EALDH1A1
SCHEMBL439758 0.73 GAA (0.49) HTTHRH4EGLN1KDM4EALDH1A1
SCHEMBL7120039 0.72 CSNK2A2 (0.42) HTTCOASYCSNK2A2CSNK2BCSNK2A1
SCHEMBL24019958 0.72 HRH4 (0.53) HTTCBFBHRH4ADORA3ADORA1

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
US-6617315-B1 Sugar-substituted benzimidazole derivatives are used for the treatment or prophylaxis of restenosis, particularly following angioplasty CHAMBERLAIN STANLEY DAWES (US) 2003-09-09 US disclosed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed
US-6204249-B1 L-benzimidazole nucleosides GLAXO WELLCOME INC. 2001-03-20 US disclosed
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 WO disclosed