SCHEMBL8920527

SCHEMBL8920527

CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(O)c(N)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
PKM P14618 3/20 0.58
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL8920534 0.91 PKM (0.67) KDM4EPKMLMNAHSD17B1HSD17B2
SCHEMBL8921185 0.88 MEN1 (0.60) KDM4EPKMLMNAALDH1A1GAA
SCHEMBL8921186 0.85 PKM (0.64) KDM4EPKMLMNAALDH1A1GAA
SCHEMBL19329398 0.85 MAPK1 (0.58) KDM4EPKMLMNAL3MBTL1HSD17B1
SCHEMBL32668980 0.81 KMT2A (0.60) PKMALDH1A1GAAMEN1GFER
SCHEMBL8918680 0.81 KMT2A (0.60) PKMALDH1A1GAAMEN1GFER
SCHEMBL11412849 0.80 ALDH1A1 (0.64) PKMHSD17B2ALDH1A1GAAMEN1
SCHEMBL6701386 0.79 ALDH1A1 (0.57) KDM4EPKMLMNAHSD17B1HSD17B2
SCHEMBL4103246 0.79 KDM4E (0.68) KDM4EPKMLMNAL3MBTL1GAA
SCHEMBL13765762 0.77 KDM4E (0.67) KDM4EPKMLMNAL3MBTL1GAA

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-5668259-A ANIONIC DYES CLARIANT FINANCE (BVI) LIMITED (VG) 1997-09-16 US disclosed