SCHEMBL13639447

SCHEMBL13639447

CC(C)(C)C#Cc1cccc(S(=O)(=O)Nc2ccccc2N)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 9/20 0.76
HDAC1 Q13547 1/20 0.45
ACLY P53396 2/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GLO1 Q04760 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
TRIM24 O15164 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CRBN Q96SW2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3786570 0.86 PTGES2 (1.00) PTGES2CA1CA2CA9
SCHEMBL7901144 0.76 KMT2A (0.62) SLC40A1MAPTMEN1ALDH1A1KMT2A
SCHEMBL1260477 0.76 PTGES2 (0.47) PTGES2MAPTMEN1ALDH1A1KMT2A
SCHEMBL30737452 0.73 ALDH1A1 (0.58) CA12CA1CA2CA9GLO1
SCHEMBL2068236 0.73 ALDH1A1 (0.58) CA12CA1CA2CA9GLO1
SCHEMBL30737349 0.73 PGR (0.62) PTGES2ACLYSLC40A1
SCHEMBL30737455 0.73 PGR (0.52) PTGES2KMT2A
Hydrochloric Acid SCHEMBL29885455 0.71 ALDH1A1 (0.56) CA1CA2CA9GLO1SLC40A1
SCHEMBL5595350 0.71 DDX3X (0.71) CA1CA2MAPTMEN1ALDH1A1
SCHEMBL13639451 0.71 PTGES2 (0.77) PTGES2

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-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed