SCHEMBL5151693

SCHEMBL5151693

O=C(O)CC(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
OGT O15294 1/20 0.46
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
EEF2K O00418 1/20 0.42
MEP1B Q16820 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41

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
SCHEMBL6952091 0.82 ALDH1A1 (0.62) L3MBTL1KDM4ETDP1ALDH1A1OGT
SCHEMBL5155289 0.82 L3MBTL1 (0.61) L3MBTL1ALDH1A1EEF2K
SCHEMBL5151853 0.76 L3MBTL1 (0.53) L3MBTL1ALDH1A1KMT2AATMEEF2K
SCHEMBL5231642 0.76 CHRM2 (0.54) ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL5155502 0.75 CHRM2 (0.55) ALDH1A1KMT2AMEN1
SCHEMBL5803385 0.73 KMT2A (0.58) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL5802575 0.73 KMT2A (0.58) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL20379845 0.68 PTGS1 (0.59) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL22478570 0.67 PTGS1 (0.58) KDM4EALDH1A1KMT2AMEN1ATM
SCHEMBL12365525 0.66 KDM4E (0.67) KDM4ETDP1ALDH1A1KMT2AGAA

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
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US disclosed