SCHEMBL7792693

SCHEMBL7792693

CS(=O)(=O)n1c(C(=O)SCCCCCSC(=O)c2nc3ccccc3n2S(C)(=O)=O)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.43
ALDH3A1 P30838 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
APEX1 P27695 1/20 0.36
NOD1 Q9Y239 1/20 0.36
AGTR1 P30556 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7794772 0.82 CYP1A2 (0.45) ALDH1A1HTTHSD17B10HPGDKDM4E
SCHEMBL7796432 0.81 HDAC6 (0.46) ALDH1A1HTTHPGDKDM4EPTGDR2
SCHEMBL7786325 0.81 HDAC6 (0.46) ALDH1A1HTTHPGDKDM4EPTGDR2
SCHEMBL7792344 0.77 PTGDR2 (0.43) ALDH1A1HSD17B10KDM4ECYP1A2PTGDR2
SCHEMBL7796343 0.77 PTGDR2 (0.43) ALDH1A1HSD17B10KDM4ECYP1A2PTGDR2
SCHEMBL7786251 0.77 ALDH1A1 (0.62) ALDH1A1HTTHSD17B10HPGDKDM4E
SCHEMBL7792081 0.77 PTGDR2 (0.43) ALDH1A1HSD17B10KDM4ECYP1A2PTGDR2
SCHEMBL8402493 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRPTGDR2SMN1; SMN2
SCHEMBL7796129 0.75 CYP1A2 (0.43) ALDH1A1HSD17B10KDM4ECYP1A2PTGDR2
SCHEMBL7795675 0.75 GAA (0.54) ALDH1A1HSD17B10HPGDKDM4ETSHR

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