SCHEMBL7864076

SCHEMBL7864076

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 2/20 0.51
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
KCNMA1 Q12791 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HCAR3 P49019 1/20 0.46
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 2/20 0.44

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
SCHEMBL7861107 0.83 CXCR1 (0.63) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7853850 0.81 CXCR1 (0.54) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7861565 0.81 ALDH1A1 (0.59) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595104 0.79 CXCR1 (0.80) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7859391 0.78 CXCR1 (0.51) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL8407433 0.78 CXCR1 (0.62) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7859872 0.77 CXCR1 (0.61) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860985 0.77 CXCR1 (0.65) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7864388 0.77 CXCR1 (0.55) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7859389 0.77 CXCR1 (0.65) 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