SCHEMBL31246327

SCHEMBL31246327

COc1cc(NS(=O)(=O)c2ccc(NSc3ccc(C(C)C)cc3)cc2)ncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 12/20 0.58
KMT2A Q03164 9/20 0.52
MEN1 O00255 8/20 0.52
GAA P10253 2/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PSMD14 O00487 1/20 0.43
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.43
ALPG P10696 1/20 0.43
DNMT1 P26358 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL25442187 0.88 CYP2C19 (0.76) CYP2C19ALDH1A1KMT2AMEN1GAA
Sulfamonomethoxine SCHEMBL29362359 0.76 CYP2C19 (1.00) CYP2C19ALDH1A1KMT2AMEN1GAA
Sulfamonomethoxine SCHEMBL93784 0.76 CYP2C19 (1.00) CYP2C19ALDH1A1KMT2AMEN1GAA
Sulfamonomethoxine SCHEMBL11052075 0.75 CYP2C19 (0.97) CYP2C19ALDH1A1KMT2AMEN1GAA
SCHEMBL28991425 0.74 ALDH1A1 (1.00) CYP2C19ALDH1A1KMT2AMEN1GAA
SCHEMBL31633227 0.73 CYP2C19 (0.75) CYP2C19ALDH1A1KMT2AMEN1GAA
Sulfamonomethoxine SCHEMBL28223172 0.73 CYP2C19 (0.86) CYP2C19ALDH1A1KMT2AMEN1GAA
SCHEMBL4686846 0.72 CYP2C19 (0.51) CYP2C19ALDH1A1MAPTSMN1; SMN2LMNA
Sulfamonomethoxine SCHEMBL28198185 0.72 CYP2C19 (0.90) CYP2C19ALDH1A1KMT2AMEN1GAA
SCHEMBL30223204 0.72 ALDH1A1 (0.75) CYP2C19ALDH1A1KMT2AMEN1GAA

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
CN-118978462-A Preparation method of N-sulfinylated sulfonamide derivative 赣南医科大学 2024-11-19 CN disclosed