SCHEMBL8498244

SCHEMBL8498244

C/C(CCc1ccccc1)=N\N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 6/20 0.43
HSP90AA1 P07900 1/20 0.43
G6PC1 P35575 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL8498249 1.00 GAA (0.51) GAAMAPTKDM4ERECQLKMT2A
SCHEMBL8499167 0.81 ALDH1A1 (0.50) GAAKDM4ERECQLKMT2AALDH1A1
SCHEMBL8499169 0.81 ALDH1A1 (0.50) GAAKDM4ERECQLKMT2AALDH1A1
SCHEMBL8499830 0.80 KDM4E (0.47) GAAKDM4ERECQLKMT2AALDH1A1
SCHEMBL8499831 0.80 KDM4E (0.47) GAAKDM4ERECQLKMT2AALDH1A1
SCHEMBL8499655 0.76 GAA (0.35) GAAMAPTKDM4ERECQLKMT2A
SCHEMBL8499201 0.74 ALDH1A1 (0.46) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL8499202 0.74 ALDH1A1 (0.46) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL14799383 0.72 G6PC1 (0.65) KMT2AALDH1A1MEN1G6PC1LMNA
SCHEMBL14799382 0.72 G6PC1 (0.65) KMT2AALDH1A1MEN1G6PC1LMNA

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

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