SCHEMBL7590378

SCHEMBL7590378

CC(C)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2NS(=O)(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.48
HSD11B1 P28845 1/20 0.45
ACLY P53396 1/20 0.45
BRPF1 P55201 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
BRD1 O95696 2/20 0.43
BRPF3 Q9ULD4 1/20 0.43
KDM1A O60341 1/20 0.43
STAT3 P40763 1/20 0.43
GLO1 Q04760 1/20 0.42
TRIM24 O15164 1/20 0.42

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
SCHEMBL7587888 0.84 KEAP1 (0.54) HSD11B1ACLYGAAMAPTSMN1; SMN2
SCHEMBL7580346 0.81 KDM1A (0.63) HSD11B1BRPF1TP53MAPTSMN1; SMN2
SCHEMBL7589336 0.81 SLC22A12 (0.54) CCR2ACLYSTAT3GLO1
SCHEMBL7597807 0.80 CCR2 (0.71) CCR2
SCHEMBL7590023 0.78 CCR2 (0.51) CCR2TP53GAAMAPTSMN1; SMN2
SCHEMBL7596280 0.77 CCR2 (0.56) CCR2BRPF1TP53GAAMAPT
SCHEMBL7588944 0.77 ALDH1A1 (0.56) CCR2TP53GAAMAPTSMN1; SMN2
SCHEMBL7573875 0.76 KEAP1 (0.55) CCR2GAAMAPTSMN1; SMN2
SCHEMBL7595509 0.75 SLC22A12 (0.56) HSD11B1ACLYGLO1
SCHEMBL6831807 0.75 MAPT (0.54) HSD11B1GAAMAPT

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
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed