SCHEMBL5744702

SCHEMBL5744702

COCC(CSc1ccccc1)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX5 P09917 1/20 0.44
CA2 P00918 2/20 0.44
MMP2 P08253 2/20 0.44
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
PGR P06401 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
AR P10275 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2D6 P10635 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
SCHEMBL6468172 0.89 KMT2A (0.48) KMT2AMEN1L3MBTL1ALDH1A1ALOX5
SCHEMBL2474108 0.84 BCL2L1 (0.55) KMT2AMEN1CA2MMP2CA1
SCHEMBL6025519 0.75 KMT2A (0.49) KMT2AMEN1L3MBTL1ALOX5CA2
SCHEMBL6525578 0.74 ALOX5 (0.51) KMT2AMEN1L3MBTL1ALDH1A1ALOX5
SCHEMBL6026285 0.73 KMT2A (0.47) KMT2AMEN1L3MBTL1ALOX5CA2
SCHEMBL6531285 0.73 KMT2A (0.46) KMT2AMEN1L3MBTL1ALOX5CA2
SCHEMBL6470751 0.72 ALDH1A1 (0.40) ALDH1A1PGRGAA
SCHEMBL6468938 0.71 KMT2A (0.58) KMT2AMEN1L3MBTL1ALDH1A1ALOX5
SCHEMBL6530526 0.70 KMT2A (0.51) KMT2AMEN1L3MBTL1ALDH1A1ALOX5
SCHEMBL2950676 0.70 BCL2L1 (0.73) KMT2AALDH1A1GAAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed