SCHEMBL9827591

SCHEMBL9827591

CC(=O)COc1ccc(-c2cnn(C)c(=O)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
TGFBR1 P36897 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
PORCN Q9H237 1/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
ACACA Q13085 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTR3A P46098 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL2955123 0.72 HPGD (0.50) RAB9ASMN1; SMN2MAPTHPGDKDM4E
SCHEMBL16201493 0.70 GSK3B (0.45) SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL7733929 0.68 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL3370944 0.67 PTGS2 (0.56) RAB9AMAOBMAPTKMT2ALMNA
SCHEMBL9831218 0.67 RAB9A (0.42) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL9829168 0.67 FYN (0.46) NPC1RAB9ASMN1; SMN2MAPK1ADORA2A
SCHEMBL8234368 0.65 MAPT (0.59) NPC1MAOBMAPTKMT2ALMNA
SCHEMBL9320698 0.65 LTA4H (0.50) MAPTALDH1A1
SCHEMBL10858118 0.65 LMNA (0.58) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL2037881 0.65 KMT2A (0.43) RAB9AMAPTKMT2ALMNAHPGD

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-0233804-B1 MONOARYL-5-AS TRIAZINONES SUBSTITUTED IN POSITION 2, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE MEDICAMENT (FR) 1991-09-25 EP claimed