SCHEMBL4647112

SCHEMBL4647112

NC(=O)NN=C1C=Cc2ccc(OCCN3CCOCC3)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
GAA P10253 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
NR2F2 P24468 1/20 0.55
RAD52 P43351 1/20 0.55
KMT2A Q03164 1/20 0.55
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CHUK O15111 2/20 0.44
INSR P06213 2/20 0.44
MAPK8 P45983 2/20 0.44
CAMKK2 Q96RR4 2/20 0.44

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
SCHEMBL8171243 1.00 NPC1 (0.55) NPC1GAARAB9AMEN1NR2F2
SCHEMBL14101161 0.81 KMT2A (0.36) NPC1GAARAB9AMEN1NR2F2
SCHEMBL4646829 0.78 KDM4E (0.40) GAAMEN1KMT2AADORA2AADORA1
SCHEMBL8571844 0.72 KDM4E (0.62) NPC1GAARAB9AMEN1NR2F2
SCHEMBL5604414 0.72 KDM4E (0.62) NPC1GAARAB9AMEN1NR2F2
SCHEMBL30821234 0.72 HRH3 (0.56) KDM4EALDH1A1
SCHEMBL4648976 0.72 PSMD14 (0.39) GAAMEN1KMT2AADORA2AADORA1
Hydrochloric Acid SCHEMBL11606453 0.71 KDM4E (0.60) NPC1GAARAB9AMEN1NR2F2
Hydrochloric Acid SCHEMBL11602807 0.71 KDM4E (0.60) NPC1GAARAB9AMEN1NR2F2
SCHEMBL17456926 0.71 KMT2A (1.00) NPC1GAARAB9AMEN1NR2F2

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