SCHEMBL6826529

SCHEMBL6826529

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cccc2c1OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.59
▸ KMT2A Q03164 8/20 0.59
▸ CXCR1 P25024 3/20 0.59
▸ CXCR2 P25025 3/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ MAPT P10636 9/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ LMNA P02545 6/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ BAZ1A Q9NRL2 1/20 0.51
▸ HTT P42858 5/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ KCNMA1 Q12791 1/20 0.49
▸ HPGD P15428 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ PAX8 Q06710 1/20 0.46

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
SCHEMBL3706598 0.91 MEN1 (0.59) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7488205 0.81 KMT2A (0.48) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595104 0.80 CXCR1 (0.80) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3711422 0.76 CXCR2 (0.67) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3706835 0.75 KMT2A (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595118 0.75 CXCR2 (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595247 0.75 CXCR1 (0.69) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594962 0.74 MEN1 (0.72) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595038 0.74 MEN1 (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6921874 0.74 CXCR2 (1.00) MEN1KMT2ACXCR1CXCR2TDP1

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
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