SCHEMBL9301134

SCHEMBL9301134

Nc1ccc(O)c(S(=O)(=O)O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
NQO1 P15559 1/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
GAA P10253 4/20 0.41
MAPT P10636 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
DAPK1 P53355 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 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
Hydrochloric Acid SCHEMBL11264856 0.98 ALDH1A1 (0.47) ALDH1A1HSD17B10NQO1CSNK2A2CSNK2B
SCHEMBL8030690 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10NQO1CSNK2A2CSNK2B
SCHEMBL19730612 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10NQO1CSNK2A2CSNK2B
SCHEMBL2552952 0.81 HSD17B10 (0.40) ALDH1A1HSD17B10NQO1CSNK2A2CSNK2B
SCHEMBL30451951 0.78 HSD17B10 (0.44) ALDH1A1HSD17B10GAAMAPTCA12
SCHEMBL1889215 0.78 HSD17B10 (0.44) ALDH1A1HSD17B10GAAMAPTCA12
SCHEMBL9631227 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10NQO1CSNK2A2CSNK2B
SCHEMBL28873753 0.77 LDHA (0.47) ALDH1A1HSD17B10NQO1CA12CA1
SCHEMBL27966905 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10NQO1GAAMAPT
SCHEMBL11312293 0.76 ERN1 (0.39) ALDH1A1HSD17B10NQO1GAAMAPT

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
US-5340707-A Containing specified pyrazolone dye; storage stability KONICA CORPORATION (JP) 1994-08-23 US disclosed