SCHEMBL8530618

SCHEMBL8530618

Nc1ccccc1-c1nc2c(S(=O)(=O)O)cccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
DDX3X O00571 1/20 0.49
TTR P02766 1/20 0.42
TP53 P04637 2/20 0.38
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL5056564 0.84 TP53 (0.49) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9718878 0.79 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11698798 0.79 SMN1; SMN2 (0.59) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9722792 0.78 PDPK1 (0.57) ALDH1A1SMN1; SMN2KDM4EKMT2ATDP1
SCHEMBL10779720 0.77 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL21089192 0.76 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL27872889 0.75 PKLR (0.39) MAPTALDH1A1SMN1; SMN2MEN1NPC1
Hydrochloric Acid SCHEMBL28217165 0.74 PKLR (0.39) MAPTALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL21089385 0.73 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL28136959 0.73 PSMB8 (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-0581245-B1 Water-insoluble azo colouring agents CLARIANT GMBH (DE) 1998-12-23 EP disclosed