SCHEMBL7786096

SCHEMBL7786096

CCC(=O)n1c(C(=O)SCCCCCSC(=O)c2nc3ccc(C#N)cc3n2C(=O)CC)nc2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.35
CYP11B2 P19099 6/20 0.32
CYP11B1 P15538 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ENPP1 P22413 1/20 0.32
S1PR1 P21453 1/20 0.31
GNRHR P30968 1/20 0.31
PPARA Q07869 1/20 0.30
ALOX5AP P20292 1/20 0.30
ITK Q08881 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL8400685 0.83 P2RX3 (0.34) ACSS2KDM4EALDH1A1
SCHEMBL7792456 0.82 BACE1 (0.39)
SCHEMBL7792324 0.81 ALDH1A1 (0.38) ACSS2ALDH1A1GAA
SCHEMBL7792081 0.79 PTGDR2 (0.43) KDM4EALDH1A1GAA
SCHEMBL7792344 0.79 PTGDR2 (0.43) KDM4EALDH1A1GAA
SCHEMBL7796343 0.79 PTGDR2 (0.43) KDM4EALDH1A1GAA
SCHEMBL7792320 0.79 L3MBTL1 (0.41) ALDH1A1GAA
SCHEMBL7792672 0.78 KDM4E (0.32) KDM4EALDH1A1GLAGAA
SCHEMBL7796129 0.78 CYP1A2 (0.43) KDM4EALDH1A1GAA
SCHEMBL7795876 0.78 SMN1; SMN2 (0.38) KDM4EALDH1A1GLAGAAGNRHR

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