SCHEMBL6824013

SCHEMBL6824013

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.41
RORC P51449 1/20 0.40
KCNMA1 Q12791 4/20 0.36
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6824010 0.89 KMT2A (0.50) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL7489294 0.84 KMT2A (0.51) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL6920112 0.82 MEN1 (0.46) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL27605657 0.80 GPR35 (0.49) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL27605655 0.77 GPR35 (0.41) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL6823084 0.74 KMT2A (0.48) KMT2AMEN1MAPTLMNANPC1
SCHEMBL27605659 0.73 CXCR2 (0.52) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL27587708 0.72 PKM (0.50) KMT2AMEN1MAPTLMNANPC1
SCHEMBL27605681 0.72 NPC1 (0.54) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL27587711 0.71 GPR35 (0.51) KMT2AMAPTLMNAHTTMAPK1

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