SCHEMBL7360882

SCHEMBL7360882

COC(=O)/C=C/c1cncc(/C=C/c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
MAPK1 P28482 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
NTSR1 P30989 1/20 0.43
RHOA P61586 1/20 0.43
JAK2 O60674 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TLR4 O00206 3/20 0.42
TLR2 O60603 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7360885 1.00 MAPT (0.45) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL7360890 1.00 MAPT (0.45) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6804532 0.93 MAPT (0.50) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6804535 0.93 MAPT (0.50) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6798393 0.88 MAPT (0.47) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6798391 0.88 MAPT (0.47) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL7361062 0.87 MAPK1 (0.52) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL7361064 0.87 MAPK1 (0.52) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL7365963 0.85 TLR4 (0.47) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL7365969 0.85 TLR4 (0.47) MAPTRAB9ANPC1MAPK1NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed