SCHEMBL8072005

SCHEMBL8072005

CCCS(=O)(=O)n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS1 P29475 2/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GLA P06280 1/20 0.31
FDPS P14324 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17108819 0.83 POLB (0.41) PKMPOLBGAA
SCHEMBL17108826 0.76 POLB (0.36) PKMPOLBGAA
SCHEMBL21612673 0.72 KDM4E (0.33) GAAKDM4EHSD17B10MEN1MAPT
SCHEMBL5257107 0.72
SCHEMBL1535216 0.71 POLB (0.47) PKMPOLBGAANOS1CA12
SCHEMBL18704862 0.71 POLB (0.33) PKMPOLBGAA
SCHEMBL7160904 0.71 POLB (0.38) PKMPOLBGAAKDM4EALDH1A1
SCHEMBL28225029 0.71 POLB (0.38) PKMPOLBGAA
SCHEMBL27325295 0.68 POLB (0.33) PKMPOLBGAA
SCHEMBL21612663 0.68 GAA (0.31) GAAKDM4EHSD17B10MEN1MAPT

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
JP-2000128867-A 1-SULFONYLPYRAZOLE DERIVATIVE AND ITS PRODUCTION UBE IND LTD 2000-05-09 JP disclosed