SCHEMBL6920109

SCHEMBL6920109

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1c(F)cccc1F.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1c(F)cccc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 4/20 0.66
CXCR2 P25025 4/20 0.66
MEN1 O00255 10/20 0.63
KMT2A Q03164 10/20 0.63
TDP1 Q9NUW8 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MAPT P10636 9/20 0.58
HTT P42858 6/20 0.58
LMNA P02545 4/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
KCNMA1 Q12791 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL5594659 1.00 CXCR1 (0.66) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595038 0.88 MEN1 (0.74) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595104 0.86 CXCR1 (0.80) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL6823411 0.85 KMT2A (0.53) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595106 0.85 KMT2A (0.69) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL6823083 0.85 MAPT (0.60) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595504 0.84 CXCR1 (0.66) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7489293 0.83 MEN1 (0.67) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL18013179 0.82 TRPV1 (0.76) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL6824010 0.81 KMT2A (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed