SCHEMBL7489294

SCHEMBL7489294

O=C(Nc1ccccc1F)N(c1ccc([N+](=O)[O-])cc1O)N(C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
RORC P51449 1/20 0.49
KCNMA1 Q12791 4/20 0.47
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL6824013 0.84 KMT2A (0.43) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL7489293 0.82 MEN1 (0.67) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6920112 0.82 MEN1 (0.46) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6921876 0.81 CXCR2 (0.66) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6920949 0.79 ALDH1A1 (0.56) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6824084 0.79 RORC (0.56) KMT2AMEN1MAPTNPC1LMNA
SCHEMBL6823084 0.78 KMT2A (0.48) KMT2AMEN1MAPTNPC1LMNA
SCHEMBL6820172 0.78 MEN1 (0.59) KMT2AMEN1MAPTLMNAHTT
SCHEMBL6823879 0.77 AKR1C3 (0.44) KMT2AMEN1MAPTNPC1LMNA
SCHEMBL5595038 0.75 MEN1 (0.74) KMT2AMEN1MAPTRAB9ANPC1

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-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP 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