SCHEMBL29795690

SCHEMBL29795690

CCOC(=O)c1cc(C#N)c(O)nc1C.Cc1nc(O)c(C#N)cc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.66
HSD17B10 Q99714 3/20 0.66
L3MBTL1 Q9Y468 7/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 10/20 0.58
NPSR1 Q6W5P4 5/20 0.54
MAPT P10636 2/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GPR55 Q9Y2T6 2/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL16616673 0.95 KDM4E (0.72) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL23120406 0.87 GAA (0.48) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL10254012 0.85 KDM4E (0.62) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL17294334 0.83 KDM4E (0.64) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL29795714 0.82 KDM4E (0.50) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL29795644 0.82 KDM4E (0.60) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL2229192 0.80 GAA (0.71) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL11470029 0.80 KDM4E (0.69) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL3227432 0.80 KDM4E (0.71) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL16624286 0.79 KDM4E (0.55) KDM4EHSD17B10L3MBTL1GAAALDH1A1

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
EP-4031545-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS Syngenta Crop Protection AG (CH) 2022-07-27 EP disclosed