SCHEMBL9515757

SCHEMBL9515757

CCCCCCCCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPT P10636 1/20 0.50
CNR2 P34972 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL9517977 1.00 CA1 (0.52) CA1CA2CA7CA9CA14
SCHEMBL9515761 0.99 CA1 (0.53) CA1CA2CA7CA9CA14
SCHEMBL9517246 0.95 CNR2 (0.53) CA1CA2CA7CA9CA14
SCHEMBL9519167 0.95 CNR2 (0.53) CA1CA2CA7CA9CA14
SCHEMBL9515979 0.93 ALDH1A1 (0.57) CA1CA2CA7CA9CA14
SCHEMBL9516960 0.91 KMT2A (0.49) ALDH1A1MAPTCNR2KMT2ALMNA
SCHEMBL9517171 0.91 KMT2A (0.49) ALDH1A1MAPTCNR2KMT2ALMNA
SCHEMBL9518004 0.91 KMT2A (0.49) ALDH1A1MAPTCNR2KMT2ALMNA
SCHEMBL9516967 0.90 KMT2A (0.49) ALDH1A1MAPTCNR2KMT2ALMNA
SCHEMBL9516933 0.89 CNR2 (0.51) ALDH1A1CNR2GAATSHRKMT2A

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-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed