SCHEMBL8499655

SCHEMBL8499655

CC(CCc1ccccc1)=NN(c1ccccc1)c1ccccc1.c1ccc(CN(N=C2CCc3ccccc3C2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
LRRK2 Q5S007 1/20 0.32
KMT2A Q03164 7/20 0.32
MEN1 O00255 6/20 0.32
HSP90AA1 P07900 1/20 0.32
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
G6PC1 P35575 1/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL8498371 0.84 LRRK2 (0.42) GAAMAPTKDM4EALDH1A1MAPK1
SCHEMBL8499167 0.77 ALDH1A1 (0.50) GAAKDM4EALDH1A1MAPK1RECQL
SCHEMBL8499169 0.77 ALDH1A1 (0.50) GAAKDM4EALDH1A1MAPK1RECQL
SCHEMBL8498249 0.76 GAA (0.51) GAAMAPTKDM4EALDH1A1MAPK1
SCHEMBL8498244 0.76 GAA (0.51) GAAMAPTKDM4EALDH1A1MAPK1
SCHEMBL8499104 0.73 G6PC1 (0.45) LRRK2KMT2APOLBG6PC1LMNA
SCHEMBL8493516 0.70 CYP2A6 (0.39) ALDH1A1LRRK2KMT2AMEN1
SCHEMBL8498267 0.69 G6PC1 (0.51) ALDH1A1G6PC1
SCHEMBL8499830 0.65 KDM4E (0.47) GAAKDM4EALDH1A1RECQLKMT2A
SCHEMBL8499831 0.65 KDM4E (0.47) GAAKDM4EALDH1A1RECQLKMT2A

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
WO-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 WO disclosed