SCHEMBL6820931

SCHEMBL6820931

Nc1c([N+](=O)[O-])ccc(S(=O)(=O)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
KIF18A Q8NI77 1/20 0.55
NPY1R P25929 4/20 0.48
MEN1 O00255 4/20 0.46
RAB9A P51151 2/20 0.46
HTR6 P50406 2/20 0.45
S1PR4 O95977 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL11784771 0.81 KMT2A (0.58) KMT2AKIF18ANPY1RMEN1RAB9A
SCHEMBL2230607 0.80 KMT2A (0.75) KMT2AKIF18ANPY1RMEN1RAB9A
SCHEMBL11591250 0.78 HTR6 (0.61) KMT2AKIF18ANPY1RMEN1RAB9A
SCHEMBL9644188 0.77 KIF18A (0.68) KMT2AKIF18ANPY1RMEN1RAB9A
SCHEMBL2041279 0.75 KMT2A (1.00) KMT2AKIF18AMEN1RAB9AHTR6
SCHEMBL11590219 0.75 KMT2A (0.63) KMT2AKIF18ANPY1RMEN1RAB9A
SCHEMBL11490967 0.73 KMT2A (0.56) KMT2AKIF18ANPY1RMEN1RAB9A
SCHEMBL8208093 0.72 KMT2A (0.93) KMT2AKIF18AMEN1RAB9AHTR6
SCHEMBL2903876 0.72 KMT2A (0.58) KMT2AKIF18ANPY1RMEN1RAB9A
SCHEMBL27496823 0.72 KMT2A (0.63) KMT2AKIF18ANPY1RMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185265-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1185265-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076501-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0991406-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-12-13 EP disclosed
EP-0991406-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998032439-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 WO disclosed