SCHEMBL7700972

SCHEMBL7700972

CCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
KDM4E B2RXH2 8/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 5/20 0.53
POLB P06746 3/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7695104 0.93 ALDH1A1 (0.58) ALDH1A1KDM4EHTTMAPTKMT2A
SCHEMBL7696833 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EHTTMAPTPOLB
SCHEMBL7696727 0.86 MAPT (0.51) ALDH1A1KDM4EHTTMAPTPOLB
SCHEMBL7696689 0.86 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTPOLBKMT2A
Methylamine SCHEMBL7696420 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHTTMAPTPOLB
SCHEMBL7700945 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHTTMAPTKMT2A
Ethylamine SCHEMBL7698776 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL7698848 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EHTTMAPTPOLB
SCHEMBL7697517 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EHTTMAPTPOLB
SCHEMBL7700906 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHTTMAPTPOLB

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