SCHEMBL9215517

SCHEMBL9215517

CC(C)c1nccc(C(N)=O)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CDC7 O00311 1/20 0.38
AKT1 P31749 2/20 0.37
RPS6KB1 P23443 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.35
PARP1 P09874 1/20 0.35
PIK3CB P42338 1/20 0.35
HTT P42858 1/20 0.34
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NTRK1 P04629 2/20 0.33
PIM1 P11309 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL31158265 0.82 SIRT3 (0.41) SIRT3TDP1NTRK1PIM1HSP90AA1
SCHEMBL23116461 0.82 SIRT3 (0.41) SIRT3TDP1NTRK1PIM1HSP90AA1
SCHEMBL1591434 0.82 NTRK1 (0.33) CDC7ALDH1A1NTRK1PIM1HSP90AA1
SCHEMBL24691980 0.82 SIRT3 (0.41) KDM4EL3MBTL1CDC7AKT1RPS6KB1
SCHEMBL4954933 0.82 KDM4E (0.39) KDM4EL3MBTL1CDC7AKT1RPS6KB1
Hydrochloric Acid SCHEMBL28042958 0.81 GRIN3B (0.32) CDC7NTRK1PIM1HSP90AA1
SCHEMBL23137500 0.81 KDM4E (0.38) KDM4EL3MBTL1CDC7AKT1RPS6KB1
SCHEMBL3429807 0.78 PARP1 (0.53) KDM4EL3MBTL1TDP1IRAK4PARP1
SCHEMBL14857136 0.76 NTRK1 (0.43) CDC7NTRK1PIM1HSP90AA1
SCHEMBL9002808 0.76 SIRT3 (0.44) KDM4EL3MBTL1CDC7SIRT3TDP1

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-0422456-B1 Pyridine derivatives and their use in combating unwanted plant growth BASF AG (DE) 1995-05-03 EP claimed