SCHEMBL10810643

SCHEMBL10810643

Cc1nccc2[nH]c(=O)c(C(=O)NN)cc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 1/20 0.61
GAA P10253 4/20 0.59
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.56
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
P2RX7 Q99572 1/20 0.49
DYRK1A Q13627 2/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.36
VCP P55072 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10811949 0.85 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL10810922 0.83 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL6434982 0.78 PDE3B (0.50) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL10809624 0.75 PDE3B (0.60) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL10812608 0.75 PDE3B (0.60) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL4394655 0.69 PDE3B (0.51) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL6432848 0.69 PDE3A (0.55) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL13175943 0.69 DYRK1A (0.51) KDM4EALDH1A1SMN1; SMN2TSHRGAA
Medorinone SCHEMBL121782 0.68 PDE3B (1.00) KDM4EALDH1A1TSHRKMT2APDE3B
SCHEMBL1352172 0.68 MEN1 (0.55) KDM4EALDH1A1SMN1; SMN2TSHRHTT

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 5 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 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