SCHEMBL6920112

SCHEMBL6920112

O=C(Nc1c(F)cccc1F)N(c1ccc([N+](=O)[O-])cc1O)N(C(=O)Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
LMNA P02545 5/20 0.46
CTDSP1 Q9GZU7 2/20 0.42
PABPC1 P11940 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
EIF4H Q15056 1/20 0.42
MAPT P10636 7/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 1/20 0.42
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
KCNMA1 Q12791 1/20 0.41
RORC P51449 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 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
SCHEMBL6823084 0.84 KMT2A (0.48) MEN1KMT2ALMNACTDSP1PABPC1
SCHEMBL6824013 0.82 KMT2A (0.43) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL7489294 0.82 KMT2A (0.51) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL6920109 0.77 CXCR1 (0.66) MEN1KMT2ALMNACTDSP1PABPC1
SCHEMBL5594659 0.77 CXCR1 (0.66) MEN1KMT2ALMNACTDSP1PABPC1
SCHEMBL6921876 0.77 CXCR2 (0.66) MEN1KMT2ACTDSP1PABPC1DUSP3
SCHEMBL6824070 0.76 MEN1 (0.54) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL6826191 0.76 P2RX1 (0.50) MEN1KMT2ALMNAMAPTCXCR1
SCHEMBL6823370 0.75 KMT2A (0.55) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL6920949 0.75 ALDH1A1 (0.56) MEN1KMT2ALMNAMAPTNPC1

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