SCHEMBL14488656

SCHEMBL14488656

CC(Cc1ccccc1)n1cccc(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
DAO P14920 1/20 0.42
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
VEGFA P15692 1/20 0.39
TRPA1 O75762 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL217113 0.81 EGLN1 (0.39) TDP1IL1RNERAP2ERAP1POLB
SCHEMBL9453847 0.76 PTGS2 (0.41) TDP1IL1RNERAP2ERAP1MEN1
SCHEMBL6130999 0.72 VEGFA (0.46) MEN1KMT2AMAPK1EGLN1VEGFA
SCHEMBL7256450 0.70 MAPT (0.39) IL1RNERAP2ERAP1POLBMAPK1
SCHEMBL272388 0.68 EGLN1 (0.75) IL1RNERAP2ERAP1MEN1KMT2A
SCHEMBL582559 0.68 TDP1 (0.40) TDP1DAOMEN1KMT2ANPC1
SCHEMBL5602461 0.66 MEN1 (0.53) TDP1DAOMEN1KMT2APOLB
SCHEMBL18370205 0.66 MEN1 (0.53) TDP1DAOMEN1KMT2APOLB
SCHEMBL27458809 0.66 TDP1 (0.66) TDP1DAOMEN1KMT2APOLB
SCHEMBL10076304 0.66 POLB (0.44) TDP1MEN1KMT2APOLBMAPK1

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
EP-2729449-A1 5- OR 6 - SUBSTITUTED 3 - HYDROXY - 2 ( 1H) - PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAIN Takeda Pharmaceutical Company Limited (JP) 2014-05-14 EP disclosed
WO-2013004996-A1 5- OR 6 - SUBSTITUTED 3 - HYDROXY - 2 ( 1H) - PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAIN TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 WO disclosed