SCHEMBL7859413

SCHEMBL7859413

O=C(Nc1ccc([N+](=O)[O-])cc1O)NC1CCCC1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 4/20 0.55
CXCR2 P25025 4/20 0.55
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KCNMA1 Q12791 2/20 0.47
NR3C1 P04150 1/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTR1E P28566 1/20 0.40
PAX8 Q06710 1/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 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
SCHEMBL7859409 0.85 CXCR1 (0.52) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7864067 0.83 CXCR1 (0.52) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7864070 0.83 CXCR1 (0.52) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860578 0.83 CXCR2 (0.51) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860580 0.83 CXCR2 (0.51) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860582 0.83 CXCR2 (0.51) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860753 0.79 CXCR1 (0.54) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860750 0.79 CXCR1 (0.54) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860746 0.79 CXCR1 (0.54) CXCR1CXCR2MEN1KMT2ATDP1
Urea SCHEMBL7864346 0.76 CXCR1 (0.51) CXCR1CXCR2MEN1KMT2ATDP1

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-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6133319-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-17 US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed