SCHEMBL10811224

SCHEMBL10811224

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ IDE P14735 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL10814200 1.00 KDM4E (0.41) KDM4EHSD17B10L3MBTL1ALDH1A1PKM
SCHEMBL10814107 0.86 KDM4E (0.39) KDM4EHSD17B10L3MBTL1ALDH1A1MEN1
SCHEMBL10814113 0.86 KDM4E (0.39) KDM4EHSD17B10L3MBTL1ALDH1A1MEN1
SCHEMBL10808944 0.81 PDE3B (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10808950 0.81 PDE3B (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4514368 0.73 KDM4E (0.50) KDM4EHSD17B10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11259651 0.72 PDE3A (0.61) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11259649 0.72 PDE3A (0.61) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11260642 0.72 KDM4E (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11260647 0.72 KDM4E (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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
Send feedback