SCHEMBL7786244

SCHEMBL7786244

O=C(SCCCCCSC(=O)c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.52
AURKA O14965 1/20 0.49
JAK2 O60674 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49
CDK8 P49336 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL7796230 1.00 DAGLA (0.52) DAGLAAURKAJAK2ABL1NTRK1
SCHEMBL7794696 1.00 DAGLA (0.52) DAGLAAURKAJAK2ABL1NTRK1
SCHEMBL7794766 0.98 DAGLA (0.50) DAGLAAURKAJAK2ABL1NTRK1
SCHEMBL6589390 0.93 DAGLA (0.47) DAGLAAURKAJAK2ABL1NTRK1
SCHEMBL1652334 0.89 DAGLA (0.44) DAGLALMNASMN1; SMN2RAB9AMAPT
SCHEMBL7795727 0.82 MAPT (0.49) DAGLAAURKAJAK2ABL1NTRK1
SCHEMBL10346156 0.80 AURKA (0.58) DAGLAAURKAJAK2ABL1NTRK1
SCHEMBL7792319 0.80 PIN1 (0.47) DAGLALMNASMN1; SMN2RAB9AMAPT
SCHEMBL7794739 0.80 HRH4 (0.41) KDRLMNASMN1; SMN2RAB9AMAPT
SCHEMBL7794740 0.80 HRH4 (0.52) SMN1; SMN2RAB9AMAPTKMT2AHRH4

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