SCHEMBL7796432

SCHEMBL7796432

Cn1c(C(=O)SCCCCCCCCSC(=O)c2nc3ccccc3n2C)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
RECQL P46063 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
KLK5 Q9Y337 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7786325 1.00 HDAC6 (0.46) HDAC6SMN1; SMN2RECQLLMNAHTT
SCHEMBL7786251 0.84 ALDH1A1 (0.62) SMN1; SMN2RECQLLMNAHTTALDH1A1
SCHEMBL7794772 0.83 CYP1A2 (0.45) SMN1; SMN2RECQLLMNAHTTALDH1A1
SCHEMBL7795665 0.82 NPSR1 (0.56) SMN1; SMN2RECQLLMNAHTTALDH1A1
SCHEMBL7792693 0.81 ALDH1A1 (0.43) SMN1; SMN2RECQLLMNAHTTALDH1A1
SCHEMBL7792081 0.81 PTGDR2 (0.43) SMN1; SMN2RECQLALDH1A1KDM4EPTGDR2
SCHEMBL7796343 0.81 PTGDR2 (0.43) SMN1; SMN2RECQLALDH1A1KDM4EPTGDR2
SCHEMBL7792344 0.81 PTGDR2 (0.43) SMN1; SMN2RECQLALDH1A1KDM4EPTGDR2
SCHEMBL8402493 0.80 ALDH1A1 (0.56) SMN1; SMN2RECQLLMNAALDH1A1KDM4E
SCHEMBL7796129 0.80 CYP1A2 (0.43) SMN1; SMN2RECQLALDH1A1KDM4EPOLB

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