SCHEMBL14101161

SCHEMBL14101161

BCCOc1ccc2c(c1)C(=O)/C(=N/NC(N)=O)C=C2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 3/20 0.32
NR2F2 P24468 1/20 0.32
RAD52 P43351 1/20 0.32
MAPT P10636 3/20 0.32
CHRNA7 P36544 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4646596 0.89 KMT2A (0.34) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL4646835 0.86 KDM4E (0.40) KMT2AMEN1GAAMAPTCHRNA7
SCHEMBL4646829 0.86 KDM4E (0.40) KMT2AMEN1GAAMAPTCHRNA7
SCHEMBL8171243 0.81 NPC1 (0.55) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL4647112 0.81 NPC1 (0.55) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL4648906 0.75 KMT2A (0.39) KMT2AMEN1GAAKDM4E
SCHEMBL4648903 0.75 KMT2A (0.39) KMT2AMEN1GAAKDM4E
SCHEMBL4648052 0.72 PTPRC (0.40) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL4648045 0.72 PTPRC (0.40) KMT2AMEN1NPC1RAB9AGAA
Naftazone SCHEMBL1697156 0.72 MEN1 (0.44) KMT2AMEN1GAARAD52MAPT

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-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed