SCHEMBL7792456

SCHEMBL7792456

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.39
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.33
CTSD P07339 1/20 0.33
KCNH2 Q12809 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
TBXA2R P21731 1/20 0.33
NUDT1 P36639 1/20 0.33
OXER1 Q8TDS5 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
SCHEMBL8400685 0.86 P2RX3 (0.34) KMT2A
SCHEMBL7791855 0.84 AGTR1 (0.35) KMT2A
SCHEMBL7792324 0.83 ALDH1A1 (0.38)
SCHEMBL7786096 0.82 ACSS2 (0.35)
SCHEMBL7792081 0.82 PTGDR2 (0.43) KMT2A
SCHEMBL7792344 0.82 PTGDR2 (0.43) KMT2A
SCHEMBL7796343 0.82 PTGDR2 (0.43) KMT2A
SCHEMBL7792320 0.82 L3MBTL1 (0.41) KMT2A
SCHEMBL7792672 0.81 KDM4E (0.32) KMT2A
SCHEMBL7796129 0.81 CYP1A2 (0.43) KMT2A

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