SCHEMBL7795735

SCHEMBL7795735

CCOC(=O)c1ccc2nc(C(=O)SCCCCCSC(=O)c3nc4ccc(C(=O)OCC)cc4[nH]3)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.55
PKN2 Q16513 1/20 0.55
SIRT2 Q8IXJ6 6/20 0.54
SIRT1 Q96EB6 5/20 0.54
SIRT3 Q9NTG7 2/20 0.54
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HCRTR1 O43613 2/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42

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
Hydrochloric Acid SCHEMBL7792335 0.99 PKN1 (0.54) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL7795733 0.91 HCRTR1 (0.45) PKN1PKN2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL7792330 0.90 HCRTR1 (0.44) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL7792323 0.82 PIN1 (0.61) ALDH1A1HPGDHSD17B10TP53MAPT
SCHEMBL7796362 0.79 EGLN1 (0.57) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL6169071 0.78 PKN1 (0.67) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL7794740 0.77 HRH4 (0.52) ALDH1A1HPGDHSD17B10MAPTRAB9A
SCHEMBL3104404 0.77 HSP90AA1 (0.61) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL8248442 0.76 PKN1 (0.65) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL7794715 0.76 HSD17B10 (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed