SCHEMBL9515979

SCHEMBL9515979

CCCCCCCCCCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccc(OC)c(OC)c3)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CNR2 P34972 1/20 0.44
POLB P06746 1/20 0.44
GRK2 P25098 1/20 0.44
EPHX2 P34913 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9515757 0.93 CA1 (0.52) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL9517977 0.93 CA1 (0.52) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL9515761 0.93 CA1 (0.53) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL9519167 0.92 CNR2 (0.53) ALDH1A1CA1CA2CA7CA9
SCHEMBL9517246 0.92 CNR2 (0.53) ALDH1A1CA1CA2CA7CA9
SCHEMBL9517098 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL9517171 0.86 KMT2A (0.49) ALDH1A1KMT2AMEN1CNR2POLB
SCHEMBL9516960 0.86 KMT2A (0.49) ALDH1A1KMT2AMEN1CNR2POLB
SCHEMBL9518004 0.86 KMT2A (0.49) ALDH1A1KMT2AMEN1CNR2POLB
SCHEMBL9516933 0.85 CNR2 (0.51) ALDH1A1KMT2ACNR2

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