SCHEMBL7702477

SCHEMBL7702477

COc1ccccc1CNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 7/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 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
SCHEMBL7695048 0.92 ALDH1A1 (0.66) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7694568 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EHTTMAPTTP53
SCHEMBL7701852 0.90 MAPT (0.51) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7700906 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EHTTMAPTTP53
SCHEMBL7694406 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EHTTMAPTTP53
SCHEMBL7701804 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7697517 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EHTTMAPTTP53
SCHEMBL7696767 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHTTMAPTTP53
SCHEMBL7704674 0.84 MAPT (0.69) ALDH1A1KDM4EHTTMAPTTP53
SCHEMBL7695104 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EHTTMAPTLMNA

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