SCHEMBL9478348

SCHEMBL9478348

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 10/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 4/20 0.47
GALR3 O60755 1/20 0.47
LMNA P02545 3/20 0.44
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
PDE5A O76074 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4A P27815 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44

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
SCHEMBL11023428 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9476022 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11022101 0.88 KDM4E (0.50) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL10853277 0.86 KDM4E (0.46) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11017408 0.86 KDM4E (0.46) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9475251 0.85 KDM4E (0.46) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11024452 0.85 KMT2A (0.48) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11023628 0.85 KDM4E (0.44) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9476379 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9477002 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212314-A Alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1993-05-18 US disclosed
US-5212315-A Alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1993-05-18 US disclosed
EP-0140375-B1 ALKOXYIMINO ETHER DERIVATIVES OF 5-ACYL-2(1H)-PYRIDINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-23 EP disclosed
US-5043449-A Certain alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-27 US disclosed
US-4920229-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-24 US disclosed
US-4849522-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS (US) 1989-07-18 US disclosed
US-4732982-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-22 US 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
EP-0204335-A2 2(1H)-Pyridin-ones useful as intermediates STERLING DRUG INC. (US) 1986-12-10 EP disclosed
US-4595762-A 5-α-bromoalkanoyl-2-oxo-3-pyridinecarbonitriles STERLING DRUG INC. (US) 1986-06-17 US disclosed
US-4568751-A 5-Acyl-2-(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1986-02-04 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-4539327-A 5-(2-Substituted-4-thiazolyl)-6-alkyl-2(1H)-pyridinones and cardiotonic use thereof STERLING DRUG INC. (US) 1985-09-03 US disclosed
US-4524149-A 5-Alkanoyl-6-alkyl-2(1H)-pyridinones, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1985-06-18 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
US-4469699-A 5-(4-Thiazolyl)-6-alkyl-2(1H)-pyridinones and their cardiotonic use STERLING DRUG INC. (US) 1984-09-04 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
US-4412077-A Process for preparing 5-(lower-alkanoyl)-6-(lower-alkyl)-2(1H)-pyridinone STERLING DRUG INC. (US) 1983-10-25 US disclosed
EP-0089022-A2 Alkanoylpyridinones useful as cardiotonics and preparation thereof STERLING DRUG INC. (US) 1983-09-21 EP disclosed