SCHEMBL7696341

SCHEMBL7696341

COc1cccc(C(N)c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
TP53 P04637 4/20 0.44
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PIK3CA P42336 1/20 0.37
PKM P14618 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7704672 0.89 MAPT (0.45) MAPTTP53ALDH1A1TSHRGAA
SCHEMBL7695035 0.89 ALDH1A1 (0.36) MAPTTP53ALDH1A1TSHRGAA
SCHEMBL7702583 0.88 POLB (0.42) MAPTTP53ALDH1A1TSHRKDM4E
SCHEMBL7700429 0.88 ALDH1A1 (0.45) MAPTTP53ALDH1A1TSHRKDM4E
SCHEMBL7694382 0.86 ALDH1A1 (0.39) MAPTTP53ALDH1A1TSHRKDM4E
SCHEMBL7700070 0.84 TP53 (0.49) MAPTTP53ALDH1A1TSHRGAA
SCHEMBL7697200 0.84 TP53 (0.42) MAPTTP53ALDH1A1TSHRKDM4E
SCHEMBL7702473 0.82 ALDH1A1 (0.45) MAPTTP53ALDH1A1TSHRKDM4E
SCHEMBL7695041 0.81 TP53 (0.47) MAPTTP53ALDH1A1TSHRMEN1
SCHEMBL7700902 0.80 ALDH1A1 (0.44) MAPTTP53ALDH1A1TSHRKDM4E

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