SCHEMBL7795873

SCHEMBL7795873

CCCCCCCCS(=O)(=O)Nc1ccc2nc(C(=O)SCCCCCSC(=O)c3nc4ccc(NS(=O)(=O)CCCCCCCC)cc4[nH]3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
SGK1 O00141 1/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRA P10827 1/20 0.39
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
KIT P10721 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2E1 P05181 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37

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
SCHEMBL7795870 0.92 BRD4 (0.42) GRIN1GRIN2BSGK1BRD4KDM4E
SCHEMBL7792325 0.85 GRIN1 (0.44) GRIN1GRIN2BALDH1A1
SCHEMBL7792628 0.82 SPHK2 (0.48) KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7792262 0.79 MAPT (0.46) KDM4EHPGDALDH1A1HSD17B10KDR
SCHEMBL7792312 0.79 GRIN1 (0.48) GRIN1GRIN2BSGK1BRD4KDM4E
SCHEMBL7792322 0.77 MMP2 (0.42) GRIN1GRIN2BBRD4
SCHEMBL4242330 0.76 GRIN1 (0.53) GRIN1GRIN2BBRD4AURKAKDR
SCHEMBL7792323 0.74 PIN1 (0.61) HPGDALDH1A1HSD17B10CYP1A2
SCHEMBL7792625 0.73 SPHK2 (0.48) KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7792099 0.73 CHEK2 (0.45) KDM4EHPGDALDH1A1

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