SCHEMBL8225698

SCHEMBL8225698

Cc1csc(CCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.57
LTB4R Q15722 1/20 0.49
MAOA P21397 4/20 0.41
NOS1 P29475 1/20 0.40
MAOB P27338 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL11199148 0.82 LTB4R (0.46) DAOLTB4RMAOAALDH1A1HPGD
SCHEMBL28521994 0.78 DAO (0.59) DAOLTB4RMAOANOS1MAOB
SCHEMBL27763564 0.77 DAO (0.57) DAOLTB4RMAOANOS1MAOB
SCHEMBL1244006 0.77 DAO (0.53) DAOLTB4RMAOBMAPTNPC1
SCHEMBL13763150 0.77 TSHR (0.52) DAOMAOAKDM4EMAPTSMN1; SMN2
SCHEMBL1244005 0.76 DAO (0.60) DAOLTB4RMAOANOS1MAOB
SCHEMBL21440071 0.73 PRMT6 (0.42) DAOALDH1A1HPGDKDM4EMAPT
SCHEMBL1243895 0.73 DAO (0.57) DAOLTB4RMAOANOS1MAOB
SCHEMBL28528770 0.73 DAO (0.57) DAOLTB4RMAOANOS1MAOB
SCHEMBL10966725 0.73

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
WO-2008005456-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-10 WO disclosed