SCHEMBL7791855

SCHEMBL7791855

CCC(=O)n1c(C(=O)SCCCCCSC(=O)c2nc3cc(Cl)c(Cl)cc3n2C(=O)CC)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.31
BRD4 O60885 3/20 0.30
F2 P00734 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DCTPP1 Q9H773 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
SCHEMBL7792482 0.88 EPHX2 (0.32)
SCHEMBL7792672 0.86 KDM4E (0.32) MAPTKDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL7792456 0.84 BACE1 (0.39) KMT2A
SCHEMBL7795924 0.82 AGTR1 (0.35) AGTR1AGTR2MAPTKDM4ELMNA
SCHEMBL8400685 0.81 P2RX3 (0.34) MAPTKDM4ERAB9AKMT2A
SCHEMBL7796348 0.81 KDM4E (0.45) AGTR1AGTR2MAPTKDM4ELMNA
SCHEMBL7792344 0.80 PTGDR2 (0.43) MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL7792081 0.80 PTGDR2 (0.43) MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL7796343 0.80 PTGDR2 (0.43) MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL7796129 0.79 CYP1A2 (0.43) MAPTKDM4EKMT2ASMN1; SMN2

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