SCHEMBL10681806

SCHEMBL10681806

CCc1[nH]c(=O)c(C)cc1C(=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.55
▸ PDE3A Q14432 4/20 0.55
▸ CDC7 O00311 1/20 0.46
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDE4A P27815 4/20 0.38
▸ PDE4B Q07343 4/20 0.38
▸ PDE4C Q08493 4/20 0.38
▸ PDE4D Q08499 4/20 0.38
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CCR9 P51686 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 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
SCHEMBL10677717 0.87 ALDH1A1 (0.44) PDE3BPDE3AKMT2AALDH1A1HPGD
SCHEMBL10681743 0.85 PDE3B (0.53) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL10683120 0.85 PDE3B (0.53) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL10678289 0.84 CDC7 (0.56) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL10678457 0.83 LMNA (0.40) PDE3BPDE3ACDC7KMT2AALDH1A1
SCHEMBL10684544 0.83 CDK5 (0.54) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL7384727 0.82 PDE3B (0.62) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL10682046 0.81 MAPT (0.48) KMT2ANPSR1KDM4EALDH1A1HPGD
SCHEMBL10681674 0.79 ALDH1A1 (0.50) KMT2ANPSR1KDM4EALDH1A1MEN1
SCHEMBL10680809 0.78 DRD2 (0.36) PDE3BPDE3ACDC7CDK5CDK5R1

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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