SCHEMBL6824010

SCHEMBL6824010

NC(=O)N(c1ccc([N+](=O)[O-])cc1O)c1ccccc1[N+](=O)[O-].O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1c(F)cccc1F.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 3/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 1/20 0.50
CXCR1 P25024 4/20 0.48
CXCR2 P25025 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KCNMA1 Q12791 1/20 0.43
RORC P51449 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 0.89 KMT2A (0.43) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL7489293 0.81 MEN1 (0.67) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL5594659 0.81 CXCR1 (0.66) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL6920109 0.81 CXCR1 (0.66) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL27605657 0.81 GPR35 (0.49) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5595038 0.80 MEN1 (0.74) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL27605655 0.78 GPR35 (0.41) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL6823646 0.75 KMT2A (0.49) KMT2AMEN1MAPTLMNANPC1
SCHEMBL5595118 0.74 CXCR2 (0.74) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL7489294 0.74 KMT2A (0.51) KMT2AMEN1MAPTLMNARAB9A

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