SCHEMBL14488583

SCHEMBL14488583

Cc1ccccc1CSc1cnc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.57
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ PIK3CG P48736 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39

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
SCHEMBL14488976 0.80 DAO (0.51) DAOMAPTSMN1; SMN2POLBCYP2C9
SCHEMBL14488551 0.77 DAO (0.54) DAOPOLB
SCHEMBL14488571 0.75 DAO (0.52) DAOL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL14865087 0.74 DAO (0.54) DAOKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL10847537 0.73 DAO (0.51) DAOKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL14488138 0.72 DAO (1.00) DAO
SCHEMBL14486615 0.72 PIK3CG (0.44) DAOKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL19821082 0.72 DAO (0.51) DAOKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL14488631 0.71 DAO (0.54) DAOPOLBL3MBTL1HPGDNPC1
SCHEMBL28101145 0.70 L3MBTL1 (0.54) DAOKMT2AMAPTMEN1SMN1; SMN2

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
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