SCHEMBL7063908

SCHEMBL7063908

CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C(=O)O)c[n+]([O-])c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
SIRT2 Q8IXJ6 10/20 0.47
SLC10A6 Q3KNW5 2/20 0.45
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
ALB P02768 1/20 0.42
SLC10A2 Q12908 1/20 0.42
SLC10A1 Q14973 1/20 0.42
GPR27 Q9NS67 1/20 0.42

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
SCHEMBL6351360 0.89 METAP2 (0.55) METAP2SIRT2SLC10A6AKR1C2AKR1C1
SCHEMBL6347687 0.88 METAP2 (0.50) METAP2SIRT2SLC10A6AKR1C2AKR1C1
SCHEMBL6353746 0.87 SIRT2 (0.61) SIRT2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6833917 0.85 MAPK1 (0.50) METAP2SIRT2SLC10A6AKR1C2AKR1C1
SCHEMBL6349554 0.84 AKR1C2 (0.48) METAP2SIRT2SLC10A6AKR1C2AKR1C1
SCHEMBL6356961 0.84 METAP2 (0.53) METAP2SIRT2SLC10A6KDM4EMAPK1
SCHEMBL6349263 0.84 DNMT3A (0.48) METAP2SIRT2SLC10A6AKR1C2AKR1C1
SCHEMBL6350888 0.83 METAP2 (0.52) METAP2SIRT2SLC10A6HTTSLC10A2
SCHEMBL6349003 0.83 SIRT2 (0.49) SIRT2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6349380 0.82 RPA1 (0.51) METAP2SIRT2SLC10A6AKR1C2AKR1C1

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed