SCHEMBL4737048

SCHEMBL4737048

CC(C)c1cc2c(cc1S(=O)(=O)NCCc1cccnc1)S(=O)(=O)c1cc(F)ccc1C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.39
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
NAMPT P43490 5/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 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
SCHEMBL4734165 0.90 TAAR1 (0.40) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4735469 0.85 ACHE (0.41) ALDH1A1PRMT5WDR77KDM4E
SCHEMBL4734005 0.82 TBXAS1 (0.39) TBXAS1ALDH1A1HTTSMN1; SMN2NAMPT
SCHEMBL4734133 0.81 TBXAS1 (0.40) TBXAS1ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL4730979 0.81 TBXAS1 (0.42) TBXAS1ALDH1A1HTTSMN1; SMN2
SCHEMBL4737700 0.81 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL4736394 0.76 TGM2 (0.34)
SCHEMBL4732636 0.76 ACHE (0.44) ALDH1A1HTTSMN1; SMN2PRMT5WDR77
SCHEMBL4617716 0.73 TBXAS1 (0.51) TBXAS1ALDH1A1HTTSMN1; SMN2NAMPT
SCHEMBL4734290 0.73 HTR1A (0.35)

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