SCHEMBL10680196

SCHEMBL10680196

CCc1[nH]c(=O)ccc1C(=O)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.58
▸ PDE3A Q14432 4/20 0.58
▸ CDC7 O00311 1/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ PDE4A P27815 7/20 0.39
▸ PDE4B Q07343 7/20 0.39
▸ PDE4C Q08493 7/20 0.39
▸ PDE4D Q08499 7/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CCR9 P51686 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL10676916 0.83 ALDH1A1 (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10682419 0.82 LMNA (0.39) PDE3BPDE3ACDC7KMT2ACYP2C9
SCHEMBL10683064 0.79 NPC1 (0.50) KMT2ANPSR1MEN1CYP2C9PDE4A
SCHEMBL10681806 0.78 PDE3B (0.55) PDE3BPDE3ACDC7KMT2ANPSR1
SCHEMBL10683120 0.77 PDE3B (0.53) PDE3BPDE3ACDC7KMT2ANPSR1
SCHEMBL10681743 0.77 PDE3B (0.53) PDE3BPDE3ACDC7KMT2ANPSR1
SCHEMBL10680841 0.77 MAPK1 (0.45) NPSR1LMNAKDM4E
SCHEMBL10675744 0.77 DRD2 (0.38) PDE3BPDE3ACDC7KMT2AMEN1
SCHEMBL10678289 0.76 CDC7 (0.56) PDE3BPDE3ACDC7KMT2ANPSR1
SCHEMBL10680104 0.75 KMT2A (0.44) CDC7KMT2ALMNANAPRTKDM4E

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
US-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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