SCHEMBL6824070

SCHEMBL6824070

O=C(Nc1ccc(Br)cc1)N(c1ccc([N+](=O)[O-])cc1O)N(C(=O)Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
GAA P10253 1/20 0.48
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CXCR1 P25024 3/20 0.45
CXCR2 P25025 3/20 0.45
PTGES O14684 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
PAX8 Q06710 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6826191 0.84 P2RX1 (0.50) MEN1KMT2AGAAMAPTLMNA
SCHEMBL6921876 0.80 CXCR2 (0.66) MEN1KMT2AGAAMAPTTDP1
SCHEMBL7539557 0.79 KMT2A (0.55) MEN1KMT2AGAAMAPTTDP1
SCHEMBL7485993 0.77 MEN1 (0.47) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL6823370 0.76 KMT2A (0.55) MEN1KMT2AGAAMAPTTDP1
SCHEMBL6824074 0.76 CXCR1 (0.76) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL5595137 0.76 CXCR1 (0.76) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL6920112 0.76 MEN1 (0.46) MEN1KMT2AGAAMAPTTDP1
SCHEMBL5595090 0.74 CXCR1 (0.57) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL27587720 0.74 GPR35 (0.43) MEN1KMT2AGAAMAPTTDP1

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 6 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-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 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
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed