SCHEMBL8932451

SCHEMBL8932451

CN1CC(SC(=O)c2ccccc2)CSC1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ACE P12821 1/20 0.34
BRD4 O60885 3/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8817363 0.73 TNKS2 (0.41) SMN1; SMN2
SCHEMBL8932640 0.72 CTSL (0.32)
SCHEMBL8819028 0.72 ALDH1A1 (0.35) KMT2ASMN1; SMN2
SCHEMBL8817341 0.72 ADORA3 (0.38) ACEKMT2ASMN1; SMN2
SCHEMBL8817416 0.71 ALDH1A1 (0.33) ACEKMT2A
SCHEMBL8820211 0.71 ADRA1A (0.33) ACEKMT2A
SCHEMBL8820263 0.71 KDM4E (0.33) ACESMN1; SMN2
SCHEMBL8820260 0.70 USP2 (0.33) GAAACEKMT2ASMN1; SMN2
SCHEMBL13042918 0.69 RAB9A (0.47) GAAACEKMT2ASMN1; SMN2
SCHEMBL8820385 0.68 ACE (0.33) ACE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed