SCHEMBL4730169

SCHEMBL4730169

CC1(C)c2ccc(F)cc2S(=O)(=O)c2cc(S(=O)(=O)NCCc3cccnc3)c(OC(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
NAMPT P43490 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALPL P05186 2/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.34

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
SCHEMBL4732410 0.89 TBXAS1 (0.40) TBXAS1NAMPTL3MBTL1POLB
SCHEMBL4734005 0.85 TBXAS1 (0.39) TBXAS1NAMPTSMN1; SMN2ALDH1A1POLB
SCHEMBL4734428 0.79 HTT (0.40) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4731926 0.77 POLB (0.47) TBXAS1SMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL4731674 0.75 PTGDR2 (0.33)
SCHEMBL4731516 0.74 MEN1 (0.39) NAMPTSMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL4619417 0.73 ALPL (0.54) TBXAS1NAMPTSMN1; SMN2ALPLALDH1A1
SCHEMBL4733638 0.72 TBXAS1 (0.41) TBXAS1NAMPTPOLB
SCHEMBL4734755 0.72 POLB (0.46) TBXAS1NAMPTSMN1; SMN2ALDH1A1POLB
SCHEMBL4730979 0.72 TBXAS1 (0.42) TBXAS1SMN1; SMN2ALDH1A1POLB

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