SCHEMBL2740988

SCHEMBL2740988

COc1cc(Cl)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)c1OCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.64
▸ ATG4B Q9Y4P1 1/20 0.64
▸ MAPT P10636 13/20 0.54
▸ KMT2A Q03164 12/20 0.54
▸ MEN1 O00255 11/20 0.54
▸ GAA P10253 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ TNNI3 P19429 1/20 0.50
▸ TNNT2 P45379 1/20 0.50
▸ TNNC1 P63316 1/20 0.50
▸ BLM P54132 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ PSMD14 O00487 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALPL P05186 1/20 0.46
▸ ALPI P09923 1/20 0.46

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
SCHEMBL13128960 0.94 PLA2G1B (0.63) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2740951 0.80 MEN1 (0.57) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2740972 0.78 MAPT (0.58) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2741006 0.77 MEN1 (0.55) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2741013 0.75 MEN1 (0.58) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2740989 0.74 MEN1 (0.52) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2740976 0.74 PSMD14 (0.53) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2740990 0.73 L3MBTL1 (0.57) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2740974 0.73 MEN1 (0.52) PLA2G1BATG4BMAPTKMT2AMEN1
SCHEMBL2740987 0.73 MEN1 (0.55) PLA2G1BATG4BMAPTKMT2AMEN1

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
US-8088772-B2 Sulfonamides and their use as a medicament THE GENETICS COMPANY, INC. (CH) 2012-01-03 — — US disclosed
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