SCHEMBL7537332

SCHEMBL7537332

Cc1ccc(C(N)=O)cc1S(=O)(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 6/20 0.50
KCNJ3 P48549 6/20 0.50
KCNJ5 P48544 5/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
APEX1 P27695 2/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PDE4A P27815 1/20 0.50
BLM P54132 1/20 0.50
PDE1B Q01064 1/20 0.50
PMP22 Q01453 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE7A Q13946 1/20 0.50
PDE1C Q14123 1/20 0.50
PDE7B Q9NP56 1/20 0.50

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
SCHEMBL4639723 0.87 ALDH1A1 (0.41) KCNJ6KCNJ3KCNJ5ALDH1A1L3MBTL1
SCHEMBL31401177 0.85 APEX1 (0.61) KCNJ6KCNJ3KCNJ5ALDH1A1L3MBTL1
SCHEMBL29452139 0.85 APEX1 (0.61) KCNJ6KCNJ3KCNJ5ALDH1A1L3MBTL1
SCHEMBL31401329 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL17689083 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1804205 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1POLBRECQL
SCHEMBL1802590 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4639661 0.79 HSD11B1 (0.50) KCNJ6KCNJ3KCNJ5ALDH1A1KMT2A
SCHEMBL4638471 0.79 MAPK1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL31401370 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed