SCHEMBL28072046

SCHEMBL28072046

Cn1ccnc1C(C#N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.43
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PGR P06401 1/20 0.37
MEN1 O00255 1/20 0.36
FGB P02675 1/20 0.36
ALOX15 P16050 1/20 0.36
TNNI3 P19429 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL3401057 0.76 KDM4E (0.67) KDM4ECYP2D6MAPTALDH1A1GAA
SCHEMBL950298 0.75 KDM4E (0.65) KDM4ECYP2D6MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL29054527 0.75 KDM4E (0.65) KDM4ECYP2D6MAPTALDH1A1GAA
SCHEMBL30824582 0.75 KDM4E (0.65) KDM4ECYP2D6MAPTALDH1A1GAA
SCHEMBL1503496 0.73 KDM4E (0.63) KDM4ECYP2D6MAPTL3MBTL1KMT2A
SCHEMBL9113350 0.73 KDM4E (0.44) KDM4ECYP2D6MAPTALDH1A1GAA
SCHEMBL29065895 0.72 KDM4E (0.61) KDM4ECYP2D6MAPTALDH1A1GAA
SCHEMBL372623 0.72 KDM4E (0.43) KDM4ECYP2D6MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL29065893 0.71 KDM4E (0.59) KDM4ECYP2D6MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL28434530 0.70 KDM4E (0.42) KDM4ECYP2D6MAPTALDH1A1GAA

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
CN-105820123-A Preparation method of oxygen reduction catalyst with non-noble metal doped carbon material 东南大学 2016-08-03 CN disclosed