SCHEMBL95178

SCHEMBL95178

COc1ccc(CC2SC(=S)NC2=O)c2c1N(C(C)C)C(=O)CC2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.53
▸ PTPN1 P18031 2/20 0.33
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL95819 0.87 CA2 (0.55) CA2PTPN1LMNAMAPT
SCHEMBL95126 0.87 CA2 (0.51) CA2PTPN1LMNAMAPT
SCHEMBL95405 0.85 CA2 (0.49) CA2PTPN1LMNA
SCHEMBL94741 0.83 CA2 (0.52) CA2PTPN1LMNAMAPTMEN1
SCHEMBL13598466 0.83 CA2 (0.51) CA2PTPN1LMNAMAPT
SCHEMBL94559 0.80 CA2 (0.48) CA2PTPN1LMNAMAPT
SCHEMBL13598468 0.79 CA2 (0.49) CA2PTPN1LMNAMAPTMEN1
SCHEMBL13598464 0.79 CA2 (0.47) CA2PTPN1LMNAMEN1KMT2A
SCHEMBL94320 0.78 CA2 (0.46) CA2PTPN1MEN1KMT2A
SCHEMBL13598465 0.77 CA2 (0.49) CA2PTPN1MEN1KMT2A

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
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
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