SCHEMBL11238495

SCHEMBL11238495

CC(C)(C)c1[nH]c(=O)c([N+](=O)[O-])cc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
BLM P54132 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE5A O76074 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
CDC7 O00311 1/20 0.39
PKN1 Q16512 2/20 0.39
PKN2 Q16513 2/20 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
SCHEMBL11237972 0.82 PDE3B (0.60) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11246267 0.78 PDE3B (0.40) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11235491 0.78 PDE3B (0.59) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11240971 0.77 PDE3B (0.43) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11238702 0.77 PDE3B (0.66) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11227650 0.76 PDE3B (0.60) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11235965 0.75 PDE3B (0.43) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11237595 0.75 PDE3B (0.42) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11226409 0.75 PDE3A (0.70) PDE3BPDE3ALMNAHPGDTSHR
SCHEMBL11228371 0.74 PDE3B (0.52) PDE3BPDE3AAURKBINCENPCDC7

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