SCHEMBL10679720

SCHEMBL10679720

CCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ MCL1 Q07820 1/20 0.40
▸ KDM4E B2RXH2 9/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 6/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ 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
SCHEMBL10677472 0.82 NPC1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL10678506 0.81 CYP1A2 (0.39) KDM4EMAPTL3MBTL1CYP1A2SMN1; SMN2
SCHEMBL10675813 0.81 NAPRT (0.43) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL7384614 0.80 PDE3B (0.47) PDE3BPDE3AMCL1KDM4EALDH1A1
SCHEMBL10684504 0.80 CDC7 (0.40) KDM4EMAPTL3MBTL1CYP1A2SMN1; SMN2
SCHEMBL7384727 0.79 PDE3B (0.62) PDE3BPDE3AKDM4EHPGDHSD17B10
SCHEMBL7383615 0.79 PDE3B (0.46) PDE3BPDE3AMCL1KDM4EALDH1A1
SCHEMBL10811815 0.77 PDE3B (0.51) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL7381645 0.77 PDE3B (0.44) PDE3BPDE3AMCL1KDM4EALDH1A1
SCHEMBL7380887 0.77 PDE3B (0.47) PDE3BPDE3AKDM4EALDH1A1HPGD

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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