SCHEMBL7694368

SCHEMBL7694368

COc1ccc(CCNc2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
MAPT P10636 9/20 0.61
HPGD P15428 6/20 0.61
GAA P10253 4/20 0.61
TP53 P04637 2/20 0.53
KDM4E B2RXH2 8/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 2/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GLA P06280 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7696853 0.93 ALDH1A1 (0.62) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7704674 0.90 MAPT (0.69) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7700072 0.90 MAPT (0.62) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7698779 0.89 MAPT (0.56) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7697506 0.89 ALDH1A1 (0.51) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7694777 0.87 MAPT (0.58) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7699874 0.84 MAPT (0.66) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7700945 0.82 ALDH1A1 (0.60) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL7700870 0.82 ALDH1A1 (0.61) ALDH1A1MAPTHPGDGAATP53
SCHEMBL7696343 0.82 MAPT (0.73) ALDH1A1MAPTHPGDGAATP53

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