SCHEMBL7702731

SCHEMBL7702731

CCOc1ccccc1-c1nc(S(=O)(=O)c2ccc(C)cc2)c(CN)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
UBE2N P61088 1/20 0.40
LOX P28300 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL7694580 0.92 MEN1 (0.52) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7696726 0.92 MEN1 (0.45) MEN1KMT2ANPC1ENPP3ENPP1
SCHEMBL7695264 0.84 MEN1 (0.50) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7702735 0.83 UBE2N (0.60) MEN1KMT2ANPC1ENPP3ENPP1
SCHEMBL7696727 0.82 MAPT (0.51) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7663107 0.77 ALDH1A1 (0.47) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7695229 0.76 KDM4E (0.56) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7694582 0.75 UBE2N (0.69) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7695265 0.74 UBE2N (0.56) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7700431 0.72 TP53 (0.47) MEN1KMT2AALDH1A1MAPTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100842-A1 SULFONYLOXAZOLAMINES AND THEIR USE AS 5-HT6 LIGANDS MERCK PATENT GMBH (DE) 2002-12-19 WO claimed
WO-2002100842-A1 SULFONYLOXAZOLAMINES AND THEIR USE AS 5-HT6 LIGANDS MERCK PATENT GMBH (DE) 2002-12-19 WO disclosed