SCHEMBL7864070

SCHEMBL7864070

O=C(Nc1ccc([N+](=O)[O-])cc1O)NC1CCCCC1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.52
CXCR2 P25025 3/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KCNMA1 Q12791 1/20 0.47
THRB P10828 1/20 0.45
CYP19A1 P11511 1/20 0.45
MAPK1 P28482 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.42
PPIA P62937 1/20 0.42
NR3C1 P04150 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 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
SCHEMBL7864067 1.00 CXCR1 (0.52) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7859409 0.98 CXCR1 (0.52) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7859413 0.83 CXCR1 (0.55) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7861781 0.83 CYP19A1 (0.47) MEN1KMT2AKCNMA1THRBCYP19A1
SCHEMBL8204299 0.83 CYP19A1 (0.47) MEN1KMT2AKCNMA1THRBCYP19A1
SCHEMBL7860578 0.83 CXCR2 (0.51) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860580 0.83 CXCR2 (0.51) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7860582 0.83 CXCR2 (0.51) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL3103839 0.79 NPC1 (0.56) MEN1KMT2AMAPTGAA
SCHEMBL13156495 0.79 NPC1 (0.56) MEN1KMT2AMAPTGAA

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