SCHEMBL7483398

SCHEMBL7483398

O=C(Nc1ccc(S(=O)(=O)CC(O)(CSc2ccccn2)C(=O)O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PRMT1 Q99873 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 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
SCHEMBL7398968 0.87 PRMT1 (0.52) SMN1; SMN2ALDH1A1MAPTNPC1HPGD
SCHEMBL7394619 0.87 PRMT1 (0.52) SMN1; SMN2ALDH1A1MAPTNPC1HPGD
SCHEMBL7433039 0.83 MEN1 (0.42) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL7394697 0.81 PRMT1 (0.45) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL7388689 0.80 ENPP1 (0.51) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL7395666 0.79 NAMPT (0.49) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL7390973 0.79 ENPP1 (0.53) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL7395377 0.78 PRMT1 (0.48) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL7394539 0.77 KMT2A (0.50) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7396365 0.76 NPC1 (0.51) NPC1RAB9AHPGDMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006215-A1 3-ARYLSULFONYL-2-HYDROXY-2-METHYLPROPANOIC ACID DERIVATES PHARMACIA ITALIA S.P.A. (IT) 2002-01-24 WO disclosed