SCHEMBL11238568

SCHEMBL11238568

CCCCc1nc(N)c([N+](=O)[O-])cc1-c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
GSK3B P49841 1/20 0.39
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GAA P10253 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11234862 0.96 POLB (0.41) POLBTP53RAB9ANPC1SMN1; SMN2
SCHEMBL11237097 0.85 POLB (0.41) POLBTP53RAB9ANPC1SMN1; SMN2
SCHEMBL11244072 0.82 NCOA1 (0.37) POLBRAB9ANPC1GSK3BNCOA1
SCHEMBL11224797 0.79 RAB9A (0.41) POLBTP53RAB9ANPC1ALDH1A1
SCHEMBL3789859 0.77 RAB9A (0.40) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL3792526 0.76 RAB9A (0.45) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11237967 0.75 POLB (0.39) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL11236617 0.75 RAB9A (0.38) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL11228371 0.74 PDE3B (0.52) POLBTP53RAB9AMEN1KMT2A
SCHEMBL11246333 0.73 PDE3B (0.45) POLBTP53RAB9ANPC1SMN1; SMN2

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