SCHEMBL6823883

SCHEMBL6823883

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1OC(F)(F)F.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
CXCR1 P25024 3/20 0.63
CXCR2 P25025 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
KCNMA1 Q12791 2/20 0.53
MAPT P10636 6/20 0.53
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
PPIA P62937 1/20 0.47

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
SCHEMBL5594957 1.00 MEN1 (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7490611 0.89 MEN1 (0.52) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3710415 0.84 KMT2A (0.68) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6820169 0.84 KMT2A (0.68) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6823610 0.84 KMT2A (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3708973 0.82 CXCR1 (0.67) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7491978 0.82 KMT2A (0.65) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6823879 0.82 AKR1C3 (0.44) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594786 0.82 MEN1 (0.67) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594899 0.81 KMT2A (0.63) 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