SCHEMBL7487971

SCHEMBL7487971

O=C(C=Cc1cc[n+]([O-])cc1)Nc1cccc(-c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KMT2A Q03164 7/20 0.45
EGFR P00533 6/20 0.45
MEN1 O00255 6/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TRPV1 Q8NER1 3/20 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
SCHEMBL7363299 1.00 MAPT (0.45) MAPTKMT2AEGFRMEN1POLB
SCHEMBL7359779 0.90 MAPT (0.49) MAPTKMT2AEGFRMEN1POLB
SCHEMBL7359782 0.90 MAPT (0.49) MAPTKMT2AEGFRMEN1POLB
SCHEMBL7363300 0.86 MAPT (0.48) MAPTKMT2AEGFRMEN1POLB
SCHEMBL7486921 0.86 LTB4R (0.41) EGFRNPC1RAB9ATRPV1
SCHEMBL7486915 0.86 LTB4R (0.41) EGFRNPC1RAB9ATRPV1
SCHEMBL7367833 0.85 EGFR (0.49) MAPTKMT2AEGFRMEN1POLB
SCHEMBL7367827 0.85 EGFR (0.49) MAPTKMT2AEGFRMEN1POLB
SCHEMBL7358953 0.82 TLR4 (0.48) MAPTKMT2AEGFRMEN1NPC1
SCHEMBL7490447 0.82 TLR4 (0.48) MAPTKMT2AEGFRMEN1NPC1

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