SCHEMBL7490447

SCHEMBL7490447

O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2cc[n+]([O-])cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.48
TLR2 O60603 3/20 0.48
MAPT P10636 7/20 0.47
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RHOA P61586 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 2/20 0.39
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL7358953 1.00 TLR4 (0.48) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL6796960 0.90 TLR4 (0.53) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL6796952 0.90 TLR4 (0.53) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL7362392 0.89 MAPT (0.48) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL7493488 0.89 MAPT (0.48) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL6798714 0.87 TLR4 (0.51) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL6798711 0.87 TLR4 (0.51) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL6802207 0.84 RAB9A (0.58) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL6802212 0.84 RAB9A (0.58) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL6794718 0.84 TLR4 (0.57) TLR4TLR2MAPTRAB9ANPC1

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 2 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