SCHEMBL28064507

SCHEMBL28064507

c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1.c1ncncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.55
TSHR P16473 1/20 0.55
GSTP1 P09211 1/20 0.50
ATM Q13315 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SCN4A P35499 1/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
MAOA P21397 1/20 0.48
MCL1 Q07820 1/20 0.47
TLR8 Q9NR97 1/20 0.47
NISCH Q9Y2I1 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
Biphenyl SCHEMBL10838288 0.88 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL9190364 0.88 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL21921128 0.88 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL403667 0.88 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
Diphenylether SCHEMBL28210066 0.88 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL7017341 0.87 ATM (0.64) LTA4HTSHRGSTP1ATMNPC1
SCHEMBL31588897 0.85 LTA4H (0.67) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL10686173 0.85 LTA4H (0.65) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL197414 0.85 LTA4H (0.75) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL6406035 0.85 LTA4H (0.75) LTA4HTSHRGSTP1NPC1RAB9A

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
CN-105439971-A Synthetic method of 2-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine UNIV EAST CHINA NORMAL 2016-03-30 CN disclosed