SCHEMBL7792262

SCHEMBL7792262

CCC(=O)Nc1ccc2nc(C(=O)SCCCCCSC(=O)c3nc4ccc(NC(=O)CC)cc4[nH]3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
EGFR P00533 2/20 0.43
POLB P06746 2/20 0.43
FPR2 P25090 3/20 0.40
FPR1 P21462 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KDR P35968 1/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7792259 0.91 MEN1 (0.43) MAPTMEN1KMT2ALMNARECQL
SCHEMBL7792628 0.89 SPHK2 (0.48) KMT2ALMNAPOLBKDM4EALDH1A1
SCHEMBL7792325 0.82 GRIN1 (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL7792625 0.81 SPHK2 (0.48) KMT2ALMNAPOLBKDM4EALDH1A1
SCHEMBL7792323 0.79 PIN1 (0.61) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL7794740 0.77 HRH4 (0.52) MAPTKMT2AEGFRPOLBALDH1A1
SCHEMBL7796362 0.76 EGLN1 (0.57) MAPTMEN1KMT2ALMNAFPR2
Hydrochloric Acid SCHEMBL7794721 0.76 HRH4 (0.51) MAPTKMT2AEGFRALDH1A1HPGD
SCHEMBL7795897 0.75 MEN1 (0.50) MAPTMEN1KMT2ALMNARECQL
SCHEMBL7795735 0.75 PKN1 (0.55) MAPTMEN1KMT2APOLBTP53

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