SCHEMBL8769989

SCHEMBL8769989

CN(O)C(=O)C=CC=Cc1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.49
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.43
SLC16A3 O15427 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ELANE P08246 3/20 0.41
PRTN3 P24158 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.40
METAP2 P50579 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL8769983 1.00 SNCA (0.49) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8770040 0.81 HDAC8 (0.56) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8770044 0.81 HDAC8 (0.56) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8770106 0.80 HDAC8 (0.55) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8770110 0.80 HDAC8 (0.55) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8770041 0.80 SNCA (0.54) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8770046 0.80 SNCA (0.54) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8991797 0.80 SNCA (0.54) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8120283 0.77 SNCA (0.56) SNCACYP2C9CYP2C19KMT2ASLC16A3
SCHEMBL8120286 0.77 SNCA (0.56) SNCACYP2C9CYP2C19KMT2ASLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570594-B1 HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE SHIONOGI & CO (JP) 1997-07-30 EP disclosed
US-5534654-A ANTITUMOR, ANTIINFLAMMATORY, INHIBITOR OF LYMPHOCYTE ADHESIVE FACTORS SHIONOGI & CO., LTD. (JP) 1996-07-09 US disclosed
EP-0570594-A1 HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE SHIONOGI & CO., LTD. (JP) 1993-11-24 EP disclosed