SCHEMBL7357488

SCHEMBL7357488

Nc1cccc(-c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KCNH2 Q12809 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SYK P43405 1/20 0.44
MAP4K4 O95819 2/20 0.44
ABCG2 Q9UNQ0 4/20 0.44
EGFR P00533 3/20 0.44
ROCK1 Q13464 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL7830242 0.92 MAPT (0.61) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6797321 0.90 MAPT (0.55) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6798323 0.88 MAPT (0.54) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6795443 0.87 MAPT (0.53) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6796955 0.86 ABCG2 (0.53) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6797852 0.84 MAPT (0.50) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6798244 0.84 MAPT (0.52) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6798198 0.83 MAPT (0.49) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6792229 0.83 MEN1 (0.59) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL6798852 0.83 MAPT (0.49) MAPTNPC1RAB9AALDH1A1MEN1

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 6 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
CN-1066732-C Pyrido (2,3-b) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-06 CN disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
CN-1205702-A Pyrido (2,3-b) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-20 CN 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