SCHEMBL5367348

SCHEMBL5367348

CCCCCOc1nc(Oc2ccc(-n3nc4ccccc4n3)c(O)c2)nc(Oc2ccc(-n3nc4ccccc4n3)c(O)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
GPBAR1 Q8TDU6 3/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
NR5A1 Q13285 1/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TLR8 Q9NR97 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5134856 0.89 PDE2A (0.36) LTA4HNR5A1MAPT
SCHEMBL5445426 0.86 NR5A1 (0.50) LTA4HGPBAR1CYSLTR2CYSLTR1NR5A1
SCHEMBL45837 0.86 NR5A1 (0.50) LTA4HGPBAR1CYSLTR2CYSLTR1NR5A1
SCHEMBL9744615 0.86 NR5A1 (0.50) LTA4HGPBAR1CYSLTR2CYSLTR1NR5A1
SCHEMBL13370102 0.86 NR5A1 (0.50) LTA4HGPBAR1CYSLTR2CYSLTR1NR5A1
SCHEMBL8144724 0.86 NPC1 (0.45) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL7141357 0.84 GPBAR1 (0.46) LTA4HGPBAR1CYSLTR2CYSLTR1NR5A1
SCHEMBL29463600 0.84 GPBAR1 (0.46) LTA4HGPBAR1CYSLTR2CYSLTR1NR5A1
SCHEMBL6474039 0.80 NPC1 (0.45) GPBAR1CYSLTR2CYSLTR1LMNANPC1
SCHEMBL10942650 0.80 GPBAR1 (0.43) LTA4HGPBAR1CYSLTR2CYSLTR1NR5A1

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
JP-2007063250-A SYNTHESIS AND USE, AS ULTRAVIOLET ABSORBER, OF 2-ALKOXY-4,6-BIS[4-(2H-BENZOTRIAZOL-2-YL)-3-HYDROXYPHENOXY]-1,3,5-TRIAZINE, 2-ARYLOXY-4,6-BIS[4-(2H-BENZOTRIASOL-2-YL)-3-HYDROXYPHENOXY]-1,3,5-TRIAZINE, 2-ALKOXY-4,6-BIS[4-(DIMETHYLAMINO)ANILINO]-1,3,5-TRIAZINE, AND 2-ARYLOXY-4,6-BIS[4-(DIMETHYLAMINO)ANILINO]-1,3,5-TRIAZINE SHIPRO KASEI KAISHA LTD 2007-03-15 JP disclosed