SCHEMBL8991797

SCHEMBL8991797

CONC(=O)C=C/C=C/c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.54
POLB P06746 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ELANE P08246 3/20 0.43
PRTN3 P24158 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42

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
SCHEMBL8770046 1.00 SNCA (0.54) SNCAPOLBKEAP1NFE2L2ELANE
SCHEMBL8770041 1.00 SNCA (0.54) SNCAPOLBKEAP1NFE2L2ELANE
SCHEMBL8770040 0.85 HDAC8 (0.56) SNCACYP2C9CYP2C19KMT2AHDAC3
SCHEMBL8770044 0.85 HDAC8 (0.56) SNCACYP2C9CYP2C19KMT2AHDAC3
SCHEMBL8770110 0.84 HDAC8 (0.55) SNCACYP2C9CYP2C19KMT2AHDAC3
SCHEMBL8770106 0.84 HDAC8 (0.55) SNCACYP2C9CYP2C19KMT2AHDAC3
SCHEMBL6170122 0.80 SNCA (0.61) SNCAPOLBKEAP1NFE2L2ELANE
SCHEMBL1403296 0.80 SNCA (0.61) SNCAPOLBKEAP1NFE2L2ELANE
SCHEMBL8769989 0.80 SNCA (0.49) SNCAKEAP1NFE2L2ELANEPRTN3
SCHEMBL8769983 0.80 SNCA (0.49) SNCAKEAP1NFE2L2ELANEPRTN3

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
US-5534654-A ANTITUMOR, ANTIINFLAMMATORY, INHIBITOR OF LYMPHOCYTE ADHESIVE FACTORS SHIONOGI & CO., LTD. (JP) 1996-07-09 US disclosed