SCHEMBL8366106

SCHEMBL8366106

O=C(O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.81
SENP8 Q96LD8 1/20 0.81
SENP7 Q9BQF6 1/20 0.81
SENP6 Q9GZR1 1/20 0.81
KMT2A Q03164 4/20 0.66
PKM P14618 1/20 0.66
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
POLB P06746 2/20 0.65
PFKFB3 Q16875 1/20 0.64
SLC25A1 P53007 1/20 0.64
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.61
TP53 P04637 1/20 0.60
PGR P06401 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58

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
SCHEMBL30515748 0.86 KMT2A (0.70) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205955 0.85 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205956 0.85 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205953 0.85 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL4101284 0.85 PGR (0.78) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL1025444 0.85 CASP3 (0.67) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL1025441 0.85 CASP3 (0.67) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL1792614 0.83 KMT2A (0.72) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6831091 0.83 CASP3 (0.59) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL30927031 0.82 CASP3 (0.89) CASP3SENP8SENP7SENP6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831800-A4 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS DIMENSIONAL PHARM INC (US) 1999-03-10 EP disclosed
US-5741819-A THROMBOSIS INHIBITORS; ANTIINFLAMMATORY AGENTS; NEURODEGENERATIVE DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
EP-0831800-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-01 EP disclosed
WO-1996040100-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed