SCHEMBL6826191

SCHEMBL6826191

O=C(Nc1ccc(C(F)(F)F)cc1)N(c1ccc([N+](=O)[O-])cc1O)N(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.50
TMPRSS4 Q9NRS4 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
PHGDH O43175 1/20 0.46
GAA P10253 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PIN1 Q13526 1/20 0.43
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
EPHX2 P34913 1/20 0.42
PTGES O14684 1/20 0.41
KIF11 P52732 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 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
SCHEMBL6824070 0.84 MEN1 (0.54) GAACXCR1CXCR2PTGESMEN1
SCHEMBL6922530 0.80 TRPV1 (0.48) ABCG2KIF11MEN1KMT2ATRPV1
SCHEMBL6826190 0.78 CXCR1 (0.70) P2RX1TMPRSS4ABCG2CA12CA1
SCHEMBL5595105 0.78 CXCR1 (0.70) P2RX1TMPRSS4ABCG2CA12CA1
SCHEMBL6920112 0.76 MEN1 (0.46) GAACXCR1CXCR2MEN1KMT2A
SCHEMBL6301913 0.75 MEN1 (0.74) ABCG2CA12CA1CA2CA9
SCHEMBL6823879 0.74 AKR1C3 (0.44) P2RX1TMPRSS4GAACXCR1CXCR2
SCHEMBL7485993 0.74 MEN1 (0.47) P2RX1GAACXCR1CXCR2MEN1
SCHEMBL6823370 0.74 KMT2A (0.55) GAAMEN1KMT2ATRPV1LMNA
SCHEMBL28330879 0.73 MEN1 (0.68) ABCG2MEN1KMT2ATRPV1MAPT

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