SCHEMBL7113015

SCHEMBL7113015

CSc1cc2[nH]c(NC(C)C)nc2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLP1R P43220 1/20 0.38
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
AR P10275 1/20 0.36
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 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
SCHEMBL439758 0.86 GAA (0.49) EGLN1KDM4EALDH1A1GLP1RHTT
SCHEMBL29720357 0.86 GAA (0.49) EGLN1KDM4EALDH1A1GLP1RHTT
SCHEMBL7734462 0.78 AR (0.40) EGLN1KDM4EALDH1A1HTTGAA
SCHEMBL7122061 0.77 AR (0.43) EGLN1KDM4EALDH1A1AR
SCHEMBL7214338 0.73 KDM4E (0.43) EGLN1KDM4EALDH1A1HTTMCHR1
SCHEMBL7808969 0.71 GAA (0.46) EGLN1HTTGAAARLMNA
SCHEMBL13895104 0.68 MCHR1 (0.45) KDM4EALDH1A1MCHR1NPC1RIPK1
SCHEMBL7209326 0.68 RHEB (0.44) EGLN1KDM4EALDH1A1GLP1RHTT
SCHEMBL7208992 0.68 HTT (0.56) EGLN1KDM4EALDH1A1HTTMCHR1
SCHEMBL11366917 0.67 LMNA (0.53) KDM4EALDH1A1HTTSMN1; SMN2HPGD

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