SCHEMBL4734005

SCHEMBL4734005

CC(C)c1cc2c(cc1S(=O)(=O)NCCc1cccnc1)S(=O)(=O)c1cc(F)ccc1C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 6/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTAFR P25105 1/20 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
SCHEMBL4731516 0.90 MEN1 (0.39) ALDH1A1HTTSMN1; SMN2NAMPTPOLB
SCHEMBL4732410 0.87 TBXAS1 (0.40) TBXAS1NAMPTPOLBTSHRKDM4E
SCHEMBL4730979 0.86 TBXAS1 (0.42) TBXAS1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL4734133 0.86 TBXAS1 (0.40) TBXAS1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL4730169 0.85 TBXAS1 (0.38) TBXAS1ALDH1A1SMN1; SMN2NAMPTPOLB
SCHEMBL4737048 0.82 TBXAS1 (0.39) TBXAS1ALDH1A1HTTSMN1; SMN2NAMPT
SCHEMBL4731926 0.79 POLB (0.47) TBXAS1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL4734428 0.78 HTT (0.40) ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL4617716 0.76 TBXAS1 (0.51) TBXAS1ALDH1A1HTTSMN1; SMN2NAMPT
SCHEMBL4732031 0.75 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2TSHR

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