SCHEMBL6920949

SCHEMBL6920949

O=C(Nc1ccccc1-c1ccccc1)N(c1ccc([N+](=O)[O-])cc1O)N(C(=O)Nc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MYC P01106 1/20 0.53
MAX P61244 1/20 0.53
MAPT P10636 3/20 0.48
CXCR1 P25024 3/20 0.47
CXCR2 P25025 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNMA1 Q12791 2/20 0.44
RORC P51449 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
FABP4 P15090 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
SCHEMBL6921876 0.83 CXCR2 (0.66) ALDH1A1KMT2AMEN1MAPTCXCR1
SCHEMBL6824084 0.81 RORC (0.56) ALDH1A1KMT2AMEN1MAPTCXCR1
SCHEMBL6920946 0.81 CXCR1 (0.72) ALDH1A1KMT2AMEN1MYCMAX
SCHEMBL3715203 0.81 CXCR1 (0.72) ALDH1A1KMT2AMEN1MYCMAX
SCHEMBL6820172 0.81 MEN1 (0.59) ALDH1A1KMT2AMEN1MAPTKCNMA1
SCHEMBL7489294 0.79 KMT2A (0.51) KMT2AMEN1MAPTCXCR1CXCR2
SCHEMBL5594774 0.78 CXCR2 (0.72) ALDH1A1KMT2AMEN1MYCMAX
SCHEMBL6823879 0.78 AKR1C3 (0.44) ALDH1A1KMT2AMEN1MAPTCXCR1
SCHEMBL7539557 0.76 KMT2A (0.55) ALDH1A1KMT2AMEN1MAPTCXCR1
SCHEMBL6920112 0.75 MEN1 (0.46) ALDH1A1KMT2AMEN1MAPTCXCR1

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