SCHEMBL6922528

SCHEMBL6922528

COc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.66
GRIK1 P39086 1/20 0.62
CXCR1 P25024 1/20 0.58
CXCR2 P25025 1/20 0.58
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 2/20 0.56
MAPK1 P28482 2/20 0.56
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
IDH2 P48735 1/20 0.51
CSNK2A2 P19784 1/20 0.51

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
SCHEMBL5595091 0.91 CXCR1 (0.70) TRPV1CXCR1CXCR2MEN1KMT2A
SCHEMBL6823368 0.91 CXCR1 (0.70) TRPV1CXCR1CXCR2MEN1KMT2A
SCHEMBL5468450 0.91 TRPV1 (0.78) TRPV1GRIK1CXCR1CXCR2MEN1
SCHEMBL1463349 0.86 GSK3A (0.66) TRPV1GRIK1MEN1KMT2AMAPT
SCHEMBL7496033 0.85 CXCR1 (0.65) CXCR1CXCR2MEN1KMT2AMAPT
SCHEMBL18013182 0.85 TRPV1 (0.72) TRPV1GRIK1MEN1KMT2AMAPT
SCHEMBL6922530 0.83 TRPV1 (0.48) TRPV1GRIK1MEN1KMT2AMAPT
SCHEMBL6763519 0.82 MEN1 (0.70) TRPV1CXCR1CXCR2MEN1KMT2A
SCHEMBL1462991 0.82 GRIK1 (0.76) TRPV1GRIK1CXCR1CXCR2MEN1
SCHEMBL6371141 0.81 TRPV1 (0.76) TRPV1GRIK1MEN1KMT2AMAPT

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