SCHEMBL6823113

SCHEMBL6823113

COc1c(Cl)cccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.Cc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ CXCR1 P25024 2/20 0.56
▸ CXCR2 P25025 2/20 0.56
▸ DDX3X O00571 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ RORC P51449 3/20 0.54
▸ MAPT P10636 6/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ MAPK1 P28482 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48

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
SCHEMBL3707203 0.94 KMT2A (0.60) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL5594962 0.87 MEN1 (0.72) KMT2AMEN1CXCR1CXCR2DDX3X
SCHEMBL7488205 0.82 KMT2A (0.48) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL5595057 0.82 CXCR1 (0.60) KMT2AMEN1CXCR1CXCR2DDX3X
SCHEMBL3706835 0.81 KMT2A (0.74) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL7410122 0.79 HTT (0.66) KMT2AMEN1DDX3XMAPTLMNA
SCHEMBL6820169 0.79 KMT2A (0.68) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3710415 0.79 KMT2A (0.68) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3711422 0.79 CXCR2 (0.67) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL5595504 0.79 CXCR1 (0.66) KMT2AMEN1CXCR1CXCR2DDX3X

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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