SCHEMBL7122061

SCHEMBL7122061

CC(C)Nc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
EGLN1 Q9GZT9 1/20 0.42
KDR P35968 2/20 0.39
CACNA1H O95180 1/20 0.38
RAF1 P04049 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HCRTR1 O43613 8/20 0.36
HCRTR2 O43614 8/20 0.36
NPY5R Q15761 1/20 0.36
BRAF P15056 1/20 0.35

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
SCHEMBL29720357 0.84 GAA (0.49) AREGLN1CACNA1HKDM4EALDH1A1
SCHEMBL439758 0.84 GAA (0.49) AREGLN1CACNA1HKDM4EALDH1A1
SCHEMBL7734462 0.78 AR (0.40) AREGLN1KDM4EALDH1A1
SCHEMBL13542746 0.78 KDM4E (0.50) AREGLN1CACNA1HKDM4EALDH1A1
SCHEMBL7113015 0.77 EGLN1 (0.39) AREGLN1KDM4EALDH1A1
SCHEMBL13408169 0.76 MAPT (0.57) AREGLN1CACNA1HKDM4EALDH1A1
SCHEMBL2418522 0.76 EGLN1 (0.49) AREGLN1CACNA1HKDM4EHCRTR1
SCHEMBL7214338 0.74 KDM4E (0.43) EGLN1KDM4EALDH1A1
SCHEMBL18659702 0.74 AR (0.50) AREGLN1CACNA1HKDM4EALDH1A1
SCHEMBL14531739 0.73 EGLN1 (0.47) AREGLN1CACNA1HKDM4EHCRTR1

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-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 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