SCHEMBL7214338

SCHEMBL7214338

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC11 Q96DB2 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
CBFB Q13951 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38

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
SCHEMBL7734462 0.87 AR (0.40) KDM4EALDH1A1HDAC11TUBB4ATUBB
SCHEMBL28503804 0.80 KDM4E (0.45) KDM4EALDH1A1HDAC11CYP1A2CYP3A4
SCHEMBL29720357 0.79 GAA (0.49) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL439758 0.79 GAA (0.49) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL7120039 0.78 CSNK2A2 (0.42) KDM4EALDH1A1CBFBCSNK2A2CSNK2B
SCHEMBL7122061 0.74 AR (0.43) KDM4EALDH1A1EGLN1
SCHEMBL28753094 0.73 TUBB4A (0.74) KDM4EALDH1A1HDAC11CYP1A2CYP3A4
SCHEMBL29511359 0.73 TUBB4A (0.74) KDM4EALDH1A1HDAC11CYP1A2CYP3A4
SCHEMBL7113015 0.73 EGLN1 (0.39) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL4107335 0.73 HSD17B10 (0.61) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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
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
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