SCHEMBL7795876

SCHEMBL7795876

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.35
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
BRPF1 P55201 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MET P08581 1/20 0.32
NPC1 O15118 1/20 0.32
HASPIN Q8TF76 1/20 0.32
GNRHR P30968 1/20 0.32
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7796104 0.88 HPGD (0.39) ALDH1A1BRD4KMT2ALMNAKDM4E
SCHEMBL7795656 0.83 NPC1 (0.42) SMN1; SMN2ALDH1A1POLBKMT2ALMNA
SCHEMBL8400685 0.81 P2RX3 (0.34) ALDH1A1KMT2AKDM4EHPGD
SCHEMBL7792320 0.81 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1POLBKMT2ALMNA
SCHEMBL7792456 0.80 BACE1 (0.39) KMT2AKCNH2
SCHEMBL7792324 0.79 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1POLBCNR2LMNA
SCHEMBL7792081 0.77 PTGDR2 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EGAA
SCHEMBL7792344 0.77 PTGDR2 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EGAA
SCHEMBL7796343 0.77 PTGDR2 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EGAA
SCHEMBL7792672 0.76 KDM4E (0.32) SMN1; SMN2ALDH1A1KMT2ALMNAKDM4E

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