SCHEMBL7702735

SCHEMBL7702735

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.60
ALDH1A1 P00352 9/20 0.55
MAPT P10636 6/20 0.55
KDM4E B2RXH2 4/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 1/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7694582 0.92 UBE2N (0.69) UBE2NALDH1A1MAPTKDM4EKMT2A
SCHEMBL7696727 0.91 MAPT (0.51) UBE2NALDH1A1MAPTKDM4EKMT2A
SCHEMBL7696833 0.83 ALDH1A1 (0.64) UBE2NALDH1A1MAPTKDM4ECYP2C19
SCHEMBL7702731 0.83 MEN1 (0.47) UBE2NALDH1A1MAPTKDM4EKMT2A
SCHEMBL7695265 0.83 UBE2N (0.56) UBE2NALDH1A1MAPTKDM4EKMT2A
SCHEMBL7696726 0.81 MEN1 (0.45) UBE2NALDH1A1MAPTKDM4EKMT2A
Methylamine SCHEMBL7696420 0.81 ALDH1A1 (0.61) UBE2NALDH1A1MAPTKDM4ECYP2C19
SCHEMBL7694832 0.78 MEN1 (0.71) UBE2NALDH1A1MAPTKDM4ECYP2C19
SCHEMBL7663409 0.76 ALDH1A1 (0.72) UBE2NALDH1A1MAPTKDM4ECYP2C19
SCHEMBL7667933 0.76 ALDH1A1 (0.67) UBE2NALDH1A1MAPTKDM4ECYP2C19

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