SCHEMBL7430668

SCHEMBL7430668

COc1ccc(C(=O)c2[nH]c(=S)[nH]c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL7437821 0.83 HPGD (0.41) NPSR1HPGDKMT2AMEN1LMNA
SCHEMBL8207668 0.83 PDE4A (0.63) NPSR1HPGDKMT2AMEN1LMNA
SCHEMBL9787264 0.82 LMNA (0.47) NPSR1HPGDKMT2AMEN1LMNA
SCHEMBL9787252 0.81 PDE4A (0.45) NPSR1HPGDLMNAMAPTMAPK1
SCHEMBL9787361 0.81 PDE4A (0.45) NPSR1HPGDKMT2AMEN1MAPT
SCHEMBL9787086 0.81 CYP2C19 (0.58) HPGDLMNAMAPTMAPK1CA1
SCHEMBL7438756 0.80 ALDH1A1 (0.45) NPSR1HPGDKMT2AMEN1LMNA
SCHEMBL9787345 0.80 DRD3 (0.38) HPGDKMT2AMEN1MAPTRAB9A
SCHEMBL9787057 0.78 MAPT (0.55) NPSR1HPGDKMT2AMEN1LMNA
SCHEMBL9787151 0.78 PDE4A (0.70) NPSR1HPGDKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999365-A Preventing damage which occurs to heart tissue when oxygen is reintroduced after a heart attack MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-12 US disclosed
EP-0284925-A2 Use of imidazol-2-thiones for the preparation of a medicament for reducing myocardial stunning MERRELL DOW PHARMACEUTICALS INC. (US) 1988-10-05 EP disclosed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 EP disclosed