SCHEMBL11235826

SCHEMBL11235826

Nc1ncc(-c2ccccn2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.50
MAPT P10636 8/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR35 Q9HC97 1/20 0.43
CYP2A6 P11509 1/20 0.42
F12 P00748 1/20 0.42
INPPL1 O15357 1/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GRM5 P41594 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
DHFR P00374 1/20 0.39

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
SCHEMBL710165 0.81 CRHBP (0.53) CHEK2MAPTMEN1KMT2AINPPL1
SCHEMBL8302605 0.81 MAPT (0.62) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL30334403 0.79 MAPT (0.46) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL13736898 0.78 MAPT (0.49) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL11224806 0.77 INPPL1 (0.49) CHEK2MAPTMEN1KMT2AINPPL1
SCHEMBL5036431 0.77 CHEK2 (0.50) CHEK2RAB9AMEN1CYP2A6INPPL1
SCHEMBL11168501 0.76 CHEK2 (0.55) CHEK2MAPTNPC1RAB9ACYP2A6
SCHEMBL3031212 0.75 MAPT (0.63) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL6503392 0.75 MAPT (0.49) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL6974757 0.75 AURKB (0.50) MAPTNPC1RAB9ATLR4TLR2

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
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed
US-4276293-A Compositions and their preparation STERLING DRUG INC. (US) 1981-06-30 US disclosed