SCHEMBL4737700

SCHEMBL4737700

CC(C)c1cc2c(cc1S(=O)(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SFRP1 Q8N474 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
BCL2 P10415 1/20 0.36
AKR1C3 P42330 1/20 0.35

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) ALDH1A1NPSR1HTTPOLBSMN1; SMN2
SCHEMBL4732636 0.87 ACHE (0.44) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL4737048 0.81 TBXAS1 (0.39) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4732880 0.80 KMT2A (0.37) ALDH1A1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL4735469 0.78 ACHE (0.41) ALDH1A1MAPTKDM4EHPGD
SCHEMBL4731530 0.76 BRD4 (0.37) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4732619 0.72 TAAR1 (0.43) ALDH1A1NPSR1HTTPOLBSMN1; SMN2
SCHEMBL4734516 0.71 DRD2 (0.32) ALDH1A1NPSR1SFRP1MEN1KMT2A
SCHEMBL4734512 0.70 BRD4 (0.46) ALDH1A1HTTSFRP1L3MBTL1MAPT
SCHEMBL4639266 0.69 SFRP1 (0.59) ALDH1A1NPSR1HTTPOLBSMN1; SMN2

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