SCHEMBL11235237

SCHEMBL11235237

CCCCCc1[nH]c(=O)c([N+](=O)[O-])cc1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.51
PDE3A Q14432 3/20 0.51
KCNH2 Q12809 1/20 0.40
GSK3B P49841 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GPR84 Q9NQS5 5/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CDC7 O00311 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL11228371 0.96 PDE3B (0.52) PDE3BPDE3AKCNH2GSK3BTP53
SCHEMBL11227650 0.91 PDE3B (0.60) PDE3BPDE3AGSK3BLMNAGAA
SCHEMBL11235491 0.86 PDE3B (0.59) PDE3BPDE3APOLBLMNAGAA
SCHEMBL11235965 0.81 PDE3B (0.43) PDE3BPDE3AGSK3BPOLBLMNA
SCHEMBL11229942 0.80 PDE3B (0.58) PDE3BPDE3AGSK3BALDH1A1LMNA
SCHEMBL11235747 0.80 PDE3B (0.55) PDE3BPDE3AGSK3BLMNAGPR84
SCHEMBL11118932 0.77 PDE3B (0.57) PDE3BPDE3AGSK3BLMNAAURKB
SCHEMBL11247774 0.77 PDE3B (0.52) PDE3BPDE3AGSK3BGPR84CDC7
SCHEMBL11224748 0.77 PDE3A (0.84) PDE3BPDE3AGSK3BALDH1A1LMNA
SCHEMBL11237972 0.77 PDE3B (0.60) PDE3BPDE3AGSK3BLMNAAURKB

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
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
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