SCHEMBL9540915

SCHEMBL9540915

Nc1ccccc1-c1ccccc1.O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
ATM Q13315 1/20 0.52
TRPA1 O75762 1/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
THRB P10828 1/20 0.48
GHSR Q92847 3/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
FKBP1A P62942 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8912889 0.87 MMP9 (0.52) MMP2MMP9ATMTRPA1LMNA
SCHEMBL893543 0.84 ALDH1A1 (0.66) ATMTRPA1LMNAALDH1A1HTT
SCHEMBL893545 0.84 ALDH1A1 (0.66) ATMTRPA1LMNAALDH1A1HTT
SCHEMBL4653160 0.82 MMP2 (0.76) MMP2MMP9ALDH1A1HTTGHSR
SCHEMBL1750430 0.82 MMP2 (0.76) MMP2MMP9ALDH1A1HTTGHSR
SCHEMBL6962263 0.80 ALDH1A1 (0.72) TRPA1LMNAALDH1A1HTTTSHR
SCHEMBL15648472 0.80 ALDH1A1 (0.72) TRPA1LMNAALDH1A1HTTTSHR
SCHEMBL8913925 0.80 MMP9 (0.53) MMP2MMP9LMNAALDH1A1HTT
SCHEMBL23519421 0.79 ALDH1A1 (0.65) MMP2MMP9LMNAALDH1A1HTT
SCHEMBL6997 0.79 ALDH1A1 (0.65) MMP2MMP9LMNAALDH1A1HTT

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-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed