SCHEMBL11233196

SCHEMBL11233196

Cc1cc(C)nc(-c2cc(C(=O)O)c(=O)[nH]c2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
HSD17B10 Q99714 4/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 3/20 0.51
LCK P06239 1/20 0.40
ALDH1A1 P00352 6/20 0.40
SPR P35270 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
SORT1 Q99523 1/20 0.35
DYRK1A Q13627 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL11238700 0.87 POLB (0.39) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL11235309 0.83 ALDH1A1 (0.58) KDM4EGAAALDH1A1POLBLMNA
SCHEMBL11231843 0.78 PDE3B (0.51) KDM4EGAAHPGDLMNARXFP1
SCHEMBL11243686 0.78 KDM4E (0.36) KDM4EHSD17B10HPGDALDH1A1MAPK1
SCHEMBL11248993 0.76 GAA (0.50) KDM4EHSD17B10GAAHPGDPKM
SCHEMBL10851783 0.76 KDM4E (0.60) KDM4EHSD17B10GAAHPGDPKM
SCHEMBL11451200 0.74 DYRK1A (0.44) KDM4EHSD17B10GAAHPGDLCK
SCHEMBL11232009 0.74 KDM4E (0.61) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL11239062 0.73 KDM4E (0.50) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL10989508 0.72 GAA (0.49) KDM4EHSD17B10GAAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4312875-A 5-(Pyridinyl)-6-(lower-alkyl)-2(1H)-pyridinones, 1,2-dihydro-2-oxo-5-(pyridinyl)-6-(lower-alkyl)nicotinic acids and lower-alkyl esters thereof, and cardiotonic use thereof STERLING DRUG INC. (US) 1982-01-26 US disclosed