SCHEMBL7265149

SCHEMBL7265149

COc1ccc(CSC2=NC(C)=C(C(=O)O)C(c3cccc([N+](=O)[O-])c3)N2C(=O)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CACNA1F O60840 6/20 0.47
CACNA1D Q01668 6/20 0.47
CACNA1S Q13698 6/20 0.47
CACNA1C Q13936 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYLK Q15746 1/20 0.39

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
SCHEMBL7272032 0.92 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL9475062 0.90 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL9476068 0.89 CACNA1F (0.54) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL10911256 0.89 CACNA1F (0.56) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL9477182 0.89 CACNA1F (0.51) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL9475055 0.89 MAPT (0.55) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL9476292 0.88 CACNA1F (0.53) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL7271991 0.87 CACNA1F (0.46) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL10358750 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1CACNA1F
SCHEMBL10358763 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1CACNA1F

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-0237347-B1 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1991-06-12 EP disclosed
US-4855301-A 1,2,3,4-Tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-((substituted amino)carbonyl)-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E. R. SQUIBB & SONS, INC. (US) 1989-08-08 US disclosed
EP-0237347-A2 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1987-09-16 EP disclosed