SCHEMBL11080028

SCHEMBL11080028

CC1=C(c2ccncc2)CC(C)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.44
PDE3A Q14432 8/20 0.44
PDE2A O00408 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
CYP19A1 P11511 2/20 0.41
CDC7 O00311 3/20 0.38
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GSK3B P49841 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL11083746 0.83 CYP19A1 (0.39) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11088815 0.82 CYP11B1 (0.42) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11128659 0.82 BRD4 (0.44) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11084451 0.81 CYP19A1 (0.46) PDE3BPDE3ACYP19A1CDC7NPC1
SCHEMBL11084555 0.81 PDE2A (0.39) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10539855 0.80 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10761383 0.79 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL9722411 0.78 GAA (0.41) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10757069 0.78 PDE3B (0.72) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11085569 0.77 DDB1 (0.34) PDE3BPDE3APDE2APDE1APDE1B

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
EP-0109628-A1 2(1H)-pyridinones and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1984-05-30 EP claimed
US-4431651-A 2-Pyridinones and their use as cardiotonic agents STERLING DRUG INC. (US) 1984-02-14 US claimed
EP-0109628-A1 2(1H)-pyridinones and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1984-05-30 EP disclosed
US-4431651-A 2-Pyridinones and their use as cardiotonic agents STERLING DRUG INC. (US) 1984-02-14 US disclosed