SCHEMBL10808944

SCHEMBL10808944

CN(C)/C=C/c1[nH]c(=O)c(C#N)cc1C(=O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.42
▸ PDE3A Q14432 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ HTT P42858 1/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 3/20 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
SCHEMBL10808950 1.00 PDE3B (0.42) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL10814200 0.81 KDM4E (0.41) KDM4EHPGDCYP2C19HSD17B10ALDH1A1
SCHEMBL10811224 0.81 KDM4E (0.41) KDM4EHPGDCYP2C19HSD17B10ALDH1A1
SCHEMBL11259649 0.79 PDE3A (0.61) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL11259651 0.79 PDE3A (0.61) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL9770554 0.78 PDE3A (0.59) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL10814113 0.78 KDM4E (0.39) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL10814107 0.78 KDM4E (0.39) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL10927371 0.78 HTT (0.39) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL7384727 0.75 PDE3B (0.62) PDE3BPDE3AKDM4EHPGDPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4650806-A Cardiotonic 5-(heterylcarbonyl)-pyridones STERLING DRUG INC. (US) 1987-03-17 — — US disclosed
US-4567186-A 5-Heteryl-1,6-naphthyridin-2(1H)-ones, cardiotonic use thereof and intermediates therefor STERLING DRUG INC. (US) 1986-01-28 — — US disclosed
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