SCHEMBL7053837

SCHEMBL7053837

COC(=O)c1cc([S])no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.39
HTT P42858 3/20 0.39
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL7048303 0.82 MAPT (0.41) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL7055336 0.82 MAPT (0.43) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL444734 0.80 MAPT (0.42) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL4034128 0.80 HCAR2 (0.62) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL11899421 0.78 NOTUM (0.43) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL16935060 0.78 MAPT (0.41) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL7053838 0.78 MAPT (0.41) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL1536321 0.78 CHRNA4 (0.52) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL19555832 0.76 MAPT (0.39) MAPTTP53HTTHCAR2ALDH1A1
SCHEMBL5281685 0.76 EPHX2 (0.42) MAPTTP53HTTALDH1A1CYP1A2

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed