SCHEMBL7795924

SCHEMBL7795924

Cn1c(C(=O)SCCCCCSC(=O)c2nc3cc(Cl)c(Cl)cc3n2C)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
BRD4 O60885 3/20 0.32
PRSS12 P56730 1/20 0.32
RHEB Q15382 1/20 0.32

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
SCHEMBL7796348 0.85 KDM4E (0.45) AGTR1AGTR2MAPTKDM4ELMNA
SCHEMBL7791855 0.82 AGTR1 (0.35) AGTR1AGTR2MAPTKDM4ELMNA
SCHEMBL7786325 0.78 HDAC6 (0.46) PTGDR2MAPTHTTKDM4ELMNA
SCHEMBL7796432 0.78 HDAC6 (0.46) PTGDR2MAPTHTTKDM4ELMNA
SCHEMBL2857350 0.75 DAPK3 (0.39) AGTR1AGTR2PTGDR2MAPTALOX15
SCHEMBL7792482 0.72 EPHX2 (0.32)
SCHEMBL1260405 0.70 PTPN1 (0.37) PTGDR2MAPTALOX15HTTKDM4E
SCHEMBL7792672 0.68 KDM4E (0.32) MAPTKDM4ELMNA
SCHEMBL7792456 0.67 BACE1 (0.39)
SCHEMBL7786132 0.67 EGLN1 (0.52) HTTLMNARHEB

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