SCHEMBL6599749

SCHEMBL6599749

O=[N+]([O-])c1ccccc1S(=O)(=O)OCCc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALPL P05186 2/20 0.47
ALPI P09923 1/20 0.47
F2 P00734 2/20 0.44
AMY1A P0DUB6 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
AR P10275 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL11543322 0.81 KMT2A (0.59) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL1181019 0.81 KMT2A (0.63) KMT2AMEN1ALDH1A1HPGDF2
SCHEMBL27854884 0.77 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL9720821 0.77 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL8710708 0.76 KMT2A (0.53) KMT2AMEN1ALDH1A1HPGDALPL
SCHEMBL8315334 0.76 KMT2A (0.56) KMT2AMEN1ALDH1A1HPGDF2
SCHEMBL1989355 0.74 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDF2
SCHEMBL7987720 0.73 PRMT5 (0.53) MAPTKMT2AMEN1HPGDALPL
SCHEMBL8000921 0.73 TDP1 (0.56) MAPTALDH1A1SMN1; SMN2F2CA1
SCHEMBL16421141 0.72 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGDF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246619-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 EP disclosed
EP-1244452-B1 CARBOXAMIDE DERIVATES OF PYRROLIDINE AND PIPERIDINE AS UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1246619-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6544992-B1 Carbonylamino pyrrolidine and piperidine derivatives SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed
US-6514970-B1 Pyrrolidines such as benzo(b)thiophene-2-carboxylic acid ((S)-1-((S)-1-(4-(1-benzyl-piperidin-4-yloxy)-3-chloro-benzyl)-pyrrolidin-3 -ylcarbamoyl)-3- methyl-butyl)-amide SMITHKLINE BEECHAM CORPORATION 2003-02-04 US disclosed
EP-1244452-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1246619-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-09 EP disclosed
EP-1244452-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-02 EP disclosed
WO-2001045711-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO disclosed
WO-2001045700-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO disclosed