SCHEMBL10967425

SCHEMBL10967425

O=c1ccc2c(ccc3scnc32)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.44
PDE3A Q14432 17/20 0.44
EGLN1 Q9GZT9 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PARP1 P09874 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
SCHEMBL369410 0.69 CCNA2 (0.40) EGLN1CSNK2A1
SCHEMBL10968821 0.69 PDE3B (0.40) PDE3BPDE3A
SCHEMBL15388981 0.68 PARP1 (0.51) PDE3BPDE3APARP1
SCHEMBL10917620 0.66 MAPK1 (0.44) PDE3BPDE3ACSNK2A1
SCHEMBL4159209 0.65 ALDH1A1 (0.39) PDE3BPDE3A
SCHEMBL8627138 0.65 LMNA (0.39) EGLN1PARP1
SCHEMBL5004845 0.64 CCR1 (0.50)
SCHEMBL16736421 0.63 CA12 (0.55) PDE3BPDE3A
SCHEMBL2957821 0.63 F11 (0.46) PDE3BPDE3A
SCHEMBL30577499 0.63 PARP1 (0.54) CSNK2A1PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed