SCHEMBL7794772

SCHEMBL7794772

CC(=O)n1c(C(=O)SCCCCCSC(=O)c2nc3ccccc3n2C(C)=O)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 3/20 0.40
ASAH1 Q13510 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
ALDH3A1 P30838 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
SCHEMBL7792081 0.87 PTGDR2 (0.43) CYP1A2KDM4EPTGDR2L3MBTL1ASAH1
SCHEMBL7796343 0.87 PTGDR2 (0.43) CYP1A2KDM4EPTGDR2L3MBTL1ASAH1
SCHEMBL7792344 0.87 PTGDR2 (0.43) CYP1A2KDM4EPTGDR2L3MBTL1ASAH1
SCHEMBL8402493 0.86 ALDH1A1 (0.56) KDM4EPOLBPTGDR2L3MBTL1NPC1
SCHEMBL7796129 0.85 CYP1A2 (0.43) CYP1A2KDM4EPOLBPTGDR2L3MBTL1
SCHEMBL7795675 0.85 GAA (0.54) KDM4EPOLBPTGDR2L3MBTL1NPC1
SCHEMBL7786325 0.83 HDAC6 (0.46) KDM4EPOLBPTGDR2NPC1RAB9A
SCHEMBL7796432 0.83 HDAC6 (0.46) KDM4EPOLBPTGDR2NPC1RAB9A
SCHEMBL7794693 0.83 PTGDR2 (0.47) PTGDR2ASAH1ALDH1A1RECQLSMN1; SMN2
SCHEMBL7792121 0.82 IDO1 (0.47) KDM4EPOLBPTGDR2L3MBTL1NPC1

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