SCHEMBL7791799

SCHEMBL7791799

O=C(SCc1cccc(CSC(=O)c2nc3ccccc3[nH]2)c1)c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.49
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 5/20 0.48
LMNA P02545 4/20 0.48
RECQL P46063 1/20 0.48
IDO1 P14902 1/20 0.46
HTT P42858 1/20 0.45
AURKA O14965 1/20 0.45
JAK2 O60674 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
PIM1 P11309 1/20 0.45

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
SCHEMBL7795727 0.90 MAPT (0.49) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7794766 0.80 DAGLA (0.50) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7796230 0.78 DAGLA (0.52) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7794696 0.78 DAGLA (0.52) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7786244 0.78 DAGLA (0.52) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL10346156 0.77 AURKA (0.58) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6589390 0.73 DAGLA (0.47) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL28267561 0.72 DAGLA (0.66) DAGLARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL250171 0.71 CCND3 (0.70) DAGLARAB9ASMN1; SMN2NPC1LMNA
Hydrochloric Acid SCHEMBL7000982 0.70 CCND3 (0.68) DAGLARAB9ASMN1; SMN2NPC1LMNA

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