SCHEMBL7792012

SCHEMBL7792012

O=C(SCCCCCSC(=O)c1nc2ccccc2n1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TNF P01375 1/20 0.49
LMNA P02545 2/20 0.48
TSPO P30536 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE6D O43924 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH3A1 P30838 1/20 0.48
CFTR P13569 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
HKDC1 Q2TB90 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7786251 0.82 ALDH1A1 (0.62) L3MBTL1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL4780057 0.81 CYP2C19 (0.60) L3MBTL1CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL7795665 0.80 NPSR1 (0.56) L3MBTL1CYP2C19CYP2C9CYP1A2POLB
SCHEMBL7792121 0.80 IDO1 (0.47) L3MBTL1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL7796432 0.79 HDAC6 (0.46) KDM4EPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL7786325 0.79 HDAC6 (0.46) KDM4EPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL8402493 0.79 ALDH1A1 (0.56) L3MBTL1KDM4EPOLBLMNATSPO
SCHEMBL4784826 0.78 CYP2C19 (0.57) L3MBTL1CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL4784820 0.78 CYP2C19 (0.57) L3MBTL1CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL7794772 0.76 CYP1A2 (0.45) L3MBTL1CYP1A2KDM4EPOLBLMNA

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