SCHEMBL5134856

SCHEMBL5134856

CCCCCOc1nc(Oc2ccc(-n3nc4ccc(Cl)cc4n3)c(O)c2)nc(Oc2ccc(-n3nc4ccc(Cl)cc4n3)c(O)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.36
LTA4H P09960 2/20 0.36
NR5A1 Q13285 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
AGER Q15109 3/20 0.33
MAPT P10636 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL5367348 0.89 LTA4H (0.39) LTA4HNR5A1MAPT
SCHEMBL29492068 0.87 NR5A1 (0.45) PDE2ALTA4HNR5A1
SCHEMBL13370107 0.87 NR5A1 (0.45) PDE2ALTA4HNR5A1
SCHEMBL9747646 0.87 NR5A1 (0.45) PDE2ALTA4HNR5A1
SCHEMBL7787935 0.87 NR5A1 (0.45) PDE2ALTA4HNR5A1
SCHEMBL29492032 0.86 PDE2A (0.41) PDE2ALTA4HNR5A1MAPTDHODH
SCHEMBL17940503 0.86 PDE2A (0.41) PDE2ALTA4HNR5A1MAPTDHODH
SCHEMBL9639345 0.82 DHODH (0.42) PDE2ALTA4HMAPTDHODH
SCHEMBL29492091 0.79 KMT2A (0.46) MAPT
SCHEMBL9639272 0.79 KMT2A (0.46) MAPT

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
JP-2008019229-A SYNTHESIS OF 2-ALKOXY-4,6-BIS[4-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-3-HYDROXYPHENOXY]-1,3,5-TRIAZINE AND 2-ARYLOXY-4,6-BIS[4-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-3-HYDROXYPHENOXY]-1,3,5-TRIAZINE, AND UTILIZATION THEREOF AS ULTRAVIOLET ABSORBER SHIPRO KASEI KAISHA LTD 2008-01-31 JP disclosed
JP-2008019229-A SYNTHESIS OF 2-ALKOXY-4,6-BIS[4-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-3-HYDROXYPHENOXY]-1,3,5-TRIAZINE AND 2-ARYLOXY-4,6-BIS[4-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-3-HYDROXYPHENOXY]-1,3,5-TRIAZINE, AND UTILIZATION THEREOF AS ULTRAVIOLET ABSORBER SHIPRO KASEI KAISHA LTD 2008-01-31 JP disclosed