SCHEMBL29948276

SCHEMBL29948276

CNc1ccc2cc(S(=O)(=O)Cl)ccc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
CASP6 P55212 2/20 0.35
LRRK2 Q5S007 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
VCAM1 P19320 1/20 0.32
TNNI3K Q59H18 1/20 0.32

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
SCHEMBL23630307 1.00 L3MBTL1 (0.36) L3MBTL1CASP6LRRK2HSP90AA1CRHBP
SCHEMBL2331171 0.75 CYP19A1 (0.47) HTR6ALDH1A1PTGS2MEN1TP53
SCHEMBL30442560 0.73 CA2 (0.47) L3MBTL1CA1CA2CA9CA12
SCHEMBL28362177 0.73 CA2 (0.47) L3MBTL1CA1CA2CA9CA12
SCHEMBL24992459 0.73 NCEH1 (0.32) VCAM1ALDH1A1KDM4EPTGS2NCEH1
SCHEMBL23630322 0.72 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL22659052 0.71 HCAR3 (0.54) VCAM1ALDH1A1TDP1GAAKMT2A
SCHEMBL2263563 0.71 LMNA (0.48) L3MBTL1CASP6CA1CA2CA9
SCHEMBL30357699 0.71 LMNA (0.48) L3MBTL1CASP6CA1CA2CA9
SCHEMBL2325219 0.70 ROCK2 (0.47) CA1CA2CA9CA12KMT2A

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-4087650-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP disclosed
EP-4087651-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP disclosed