SCHEMBL10649604

SCHEMBL10649604

CCCN1C(=O)OC(C)(C)c2cc3[nH]c(-c4ccc(OC)cc4)nc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.44
NPBWR1 P48145 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL10530386 0.94 SLC2A1 (0.43) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10531308 0.93 SLC2A1 (0.44) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10532337 0.92 SLC2A1 (0.46) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10534419 0.92 SLC2A1 (0.43) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10532566 0.87 PDE4A (0.51) NPC1RAB9AMAPTGAAALDH1A1
SCHEMBL10530460 0.87 NPC1 (0.47) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10531240 0.86 SLC2A1 (0.44) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10530438 0.83 GUSB (0.40) SMN1; SMN2NPBWR1ALDH1A1KDM4EHPGD
SCHEMBL10531227 0.83 NPC1 (0.45) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10531300 0.83 SLC2A1 (0.46) SLC2A1NPC1RAB9ASMN1; SMN2MEN1

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-0263352-A1 Imidazo-benzoxazinones, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-04-13 EP disclosed