SCHEMBL4732278

SCHEMBL4732278

Cc1cc2c(cc1S(=O)(=O)Cl)S(=O)(=O)c1ccccc1C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL4730924 0.83 ALDH1A1 (0.32) ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4730936 0.82 LMNA (0.32) ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4735468 0.81 LMNA (0.32) ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4785987 0.76 PARG (0.38) TDP1MEN1KMT2A
SCHEMBL21390569 0.75 KMT2A (0.48) MEN1KMT2ANOX1
SCHEMBL30193036 0.75 KMT2A (0.48) MEN1KMT2ANOX1
SCHEMBL4736205 0.75 HTT (0.35) MEN1KMT2A
SCHEMBL4733960 0.75 PIK3CD (0.36) MEN1KMT2A
SCHEMBL19319666 0.73 KDM4E (0.37) ALDH1A1CYP3A4MAPK1TDP1MEN1
SCHEMBL4734675 0.73 KDM4E (0.37) ALDH1A1CYP3A4MAPK1TDP1MEN1

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-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed