SCHEMBL9517040

SCHEMBL9517040

O=C(OCc1ccc(NS(=O)(=O)c2ccccc2)cn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 4/20 0.46
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
NHERF1 O14745 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 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
SCHEMBL9518150 0.86 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1AR
SCHEMBL9516058 0.85 KMT2A (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL9515571 0.84 HDAC1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9517110 0.82 P4HTM (0.61) MEN1KMT2ALMNA
SCHEMBL9517193 0.79 AR (0.59) MEN1KMT2AMAPTALDH1A1AR
SCHEMBL9777072 0.78 AR (0.62) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL9654495 0.75 HDAC1 (0.52) MEN1KMT2AALDH1A1TDP1PKM
SCHEMBL9657802 0.74 HDAC1 (0.53) MEN1KMT2AALDH1A1TDP1PKM
SCHEMBL7782225 0.74 NHERF1 (0.76) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL9656277 0.74 KMT2A (0.48) MEN1KMT2AMAPTNPSR1ALDH1A1

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