SCHEMBL7796348

SCHEMBL7796348

CCCn1c(C(=O)SCCCCCSC(=O)c2nc3cc(Cl)c(Cl)cc3n2CCC)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34

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
SCHEMBL7795924 0.85 AGTR1 (0.35) KDM4ELMNAAGTR1AGTR2MAPT
SCHEMBL7791855 0.81 AGTR1 (0.35) KDM4ELMNAAGTR1AGTR2SMN1; SMN2
SCHEMBL7786251 0.80 ALDH1A1 (0.62) KDM4ELMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL7795665 0.73 NPSR1 (0.56) LMNAALDH1A1RECQLSMN1; SMN2MAPT
SCHEMBL7792482 0.71 EPHX2 (0.32)
SCHEMBL7792672 0.67 KDM4E (0.32) KDM4ELMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL7792456 0.66 BACE1 (0.39) KMT2A
SCHEMBL7796432 0.66 HDAC6 (0.46) KDM4ELMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL7786325 0.66 HDAC6 (0.46) KDM4ELMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL24549187 0.66 KDM4E (0.49) KDM4ELMNAAGTR1AGTR2RECQL

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 2 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