SCHEMBL10814113

SCHEMBL10814113

CCC(=O)c1cc(C#N)c(=O)[nH]c1C=CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 7/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GLA P06280 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32

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
SCHEMBL10814107 1.00 KDM4E (0.39) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL10811224 0.86 KDM4E (0.41) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL10814200 0.86 KDM4E (0.41) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL10808944 0.78 PDE3B (0.42) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL10808950 0.78 PDE3B (0.42) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL9478348 0.76 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL9477815 0.74 PDE3B (0.50) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL11203203 0.73 PDE3B (0.40) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL7377447 0.73 HSP90AB1 (0.35) ALDH1A1KMT2AMAPTPOLB
SCHEMBL7377448 0.73 HSP90AB1 (0.35) ALDH1A1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204335-A2 2(1H)-Pyridin-ones useful as intermediates STERLING DRUG INC. (US) 1986-12-10 — — EP claimed
US-4415580-A Certain 2-(1H)-pyridinones cardiotonic compositions containing same and method of using same STERLING DRUG INC. (US) 1983-11-15 — — US claimed
EP-0101952-B1 5-ALKYL-1,6-NAPHTHYRIDIN-2(1H)-ONES, INTERMEDIATES, THEIR PREPARATION AND THEIR CARDIOTONIC USE STERLING DRUG INC. (US) 1987-09-23 — — EP disclosed
EP-0204335-A2 2(1H)-Pyridin-ones useful as intermediates STERLING DRUG INC. (US) 1986-12-10 — — EP disclosed
US-4559347-A 3-Substituted-5-alkyl-1,6-naphthyridin-2(1H)-ones, cardiotonic use and preparation thereof STERLING DRUG INC. (US) 1985-12-17 — — US disclosed
US-4517190-A 5-Alkyl-1,6-naphthyridin-2(1H)-ones and cardiotonic use thereof STERLING DRUG INC. (US) 1985-05-14 — — US disclosed
EP-0101952-A1 5-Alkyl-1,6-naphthyridin-2(1H)-ones, intermediates, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1984-03-07 — — EP disclosed
US-4415580-A Certain 2-(1H)-pyridinones cardiotonic compositions containing same and method of using same STERLING DRUG INC. (US) 1983-11-15 — — US disclosed
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