SCHEMBL8920534

SCHEMBL8920534

CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(O)c(N)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.67
KDM4E B2RXH2 2/20 0.55
HSD17B1 P14061 2/20 0.53
HSD17B2 P37059 2/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8920527 0.91 KDM4E (0.59) PKMKDM4EHSD17B1HSD17B2LMNA
SCHEMBL8921186 0.87 PKM (0.64) PKMKDM4ECA1CA2LMNA
SCHEMBL8921185 0.84 MEN1 (0.60) PKMKDM4ECA1CA2LMNA
SCHEMBL4055616 0.81 TDP1 (0.57) PKMKDM4ECA1CA2LMNA
SCHEMBL8016507 0.80 GAA (0.69) PKMCA1CA2LMNAGAA
Hydrochloric Acid SCHEMBL11740154 0.79 TDP1 (0.55) PKMKDM4ECA1CA2LMNA
SCHEMBL11412849 0.79 ALDH1A1 (0.64) PKMHSD17B2CA1CA2GAA
SCHEMBL19329398 0.79 MAPK1 (0.58) PKMKDM4EHSD17B1HSD17B2CA1
SCHEMBL7495027 0.76 CA1 (0.69) CA1CA2MAPT
SCHEMBL9997129 0.75 PFKFB3 (0.62) PKMKDM4EHSD17B1HSD17B2LMNA

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