SCHEMBL14488334

SCHEMBL14488334

O=C(O)c1cc(Cc2cccc(-c3ccccc3)c2)cs1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.62
ACMSD Q8TDX5 1/20 0.51
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN5 P54829 1/20 0.45
BCL2 P10415 1/20 0.44
ALAD P13716 2/20 0.43
NR4A2 P43354 1/20 0.43
AOC3 Q16853 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KMO O15229 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL15877409 0.87 DAO (0.74) DAOACMSDMAPTNPSR1ALAD
SCHEMBL4398550 0.77 DAO (1.00) DAOMAPTNPSR1ALADPOLB
SCHEMBL2843937 0.76 AGXT (0.59) ACMSDPTPN5BCL2AOC3IDH1
SCHEMBL1761887 0.75 ALAD (0.59) DAOALADMEN1POLBRAB9A
SCHEMBL505511 0.75 ALAD (0.70) DAOALADMEN1POLBRAB9A
SCHEMBL23189011 0.74 MAPT (0.79) DAOMAPTNPSR1MEN1POLB
SCHEMBL30760383 0.74 DAO (0.56) DAOMAPTNPSR1MEN1POLB
SCHEMBL20344489 0.74 DAO (0.56) DAOMAPTNPSR1MEN1POLB
SCHEMBL31498881 0.74 CALM1 (0.60) ACMSDPTPN5AOC3IDH1
SCHEMBL9625135 0.74 CALM1 (0.60) ACMSDPTPN5AOC3IDH1

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-2729455-A1 BIARYL DERIVATIVES AS NACHR MODULATORS Lupin Limited (IN) 2014-05-14 EP disclosed
WO-2013005153-A1 BIARYL DERIVATIVES AS NACHR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO disclosed