SCHEMBL7381643

SCHEMBL7381643

CC(=O)c1ccc(=O)[nH]c1C=CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ IDE P14735 1/20 0.36
▸ CRHBP P24387 4/20 0.36
▸ CRHR2 Q13324 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ TNNT2 P45379 1/20 0.34
▸ TNNC1 P63316 1/20 0.34

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
SCHEMBL7381640 1.00 MAPT (0.36) MAPTMEN1KMT2ANPSR1CYP2C19
SCHEMBL7377448 0.83 HSP90AB1 (0.35) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL7377447 0.83 HSP90AB1 (0.35) MAPTKMT2AALDH1A1NPC1RAB9A
Medorinone SCHEMBL10816601 0.82 PDE3B (0.56) KMT2AALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL10811980 0.81 HTT (0.35) MAPTKMT2ACYP2C19ALDH1A1HPGD
SCHEMBL10813620 0.81 HTT (0.35) MAPTKMT2ACYP2C19ALDH1A1HPGD
SCHEMBL10377662 0.81 RECQL (0.43) MAPTMEN1KMT2ANPSR1CYP2C19
SCHEMBL10377663 0.81 RECQL (0.43) MAPTMEN1KMT2ANPSR1CYP2C19
SCHEMBL10377563 0.80 ALDH1A1 (0.40) MAPTMEN1KMT2ANPSR1CRHBP
SCHEMBL10377561 0.80 ALDH1A1 (0.40) MAPTMEN1KMT2ANPSR1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 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-0134535-B1 1,6-NAPHTHYRIDIN DERIVATIVES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1988-10-26 — — EP disclosed
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
US-4604399-A 5-methyl(or ethyl)-1,6-naphthyridin-2(1H)-one 6-oxides, their preparation and the cardiotonic use thereof STERLING DRUG INC. (US) 1986-08-05 — — US 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-4532247-A Increases cardiac contractility STERLING DRUG INC. (US) 1985-07-30 — — 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-0134535-A1 1,6-Naphthyridin derivatives useful as cardiotonics and preparation thereof STERLING DRUG INC. (US) 1985-03-20 — — EP 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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