SCHEMBL7588944

SCHEMBL7588944

CC(C)c1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CCR2 P41597 1/20 0.55
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NOD2 Q9HC29 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL23555160 0.90 ALDH1A1 (0.71) ALDH1A1MAPTLMNAUSP2POLB
SCHEMBL7571609 0.86 MAPT (0.54) ALDH1A1CCR2MAPTLMNAPOLB
SCHEMBL7572140 0.86 RECQL (0.69) ALDH1A1MAPTLMNAPOLBGAA
SCHEMBL7570459 0.86 MEN1 (0.66) ALDH1A1POLBL3MBTL1SMN1; SMN2GAA
SCHEMBL7579848 0.82 GAA (0.50) ALDH1A1CCR2MAPTLMNAUSP2
SCHEMBL7596280 0.82 CCR2 (0.56) ALDH1A1CCR2MAPTLMNAPOLB
SCHEMBL7597807 0.82 CCR2 (0.71) CCR2LMNA
SCHEMBL13343627 0.81 MAPT (0.53) ALDH1A1CCR2MAPTLMNAUSP2
SCHEMBL7590023 0.80 CCR2 (0.51) ALDH1A1CCR2MAPTLMNASMN1; SMN2
SCHEMBL13995037 0.80 PGR (0.69) ALDH1A1MAPTLMNAPOLBSMN1; 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
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