SCHEMBL28037112

SCHEMBL28037112

CCCCc1cc(-c2ccc(CN)cc2)c2ccc3cccc4ccc1c2c43

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.49
CHEK1 O14757 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PSMB5 P28074 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL27860002 0.80 TLR8 (0.44) TLR8CHEK1MEN1KMT2A
SCHEMBL28846703 0.79 MEN1 (0.43) TLR8MEN1KMT2APSMB5
SCHEMBL15673109 0.78 PSMB5 (0.42) TLR8PSMB5
SCHEMBL4444137 0.77 HSD11B1 (0.40) TLR8MEN1KMT2APSMB5
SCHEMBL17135982 0.76 MEN1 (0.47) TLR8MEN1KMT2A
SCHEMBL27689678 0.75 HRH3 (0.45) TLR8
SCHEMBL4585387 0.74 CNR2 (0.39) TLR8
SCHEMBL21028835 0.73 RARB (0.38) TLR8MEN1KMT2A
SCHEMBL2177707 0.73 MEN1 (0.47) TLR8CHEK1MEN1KMT2A
SCHEMBL6058898 0.73 TLR8 (0.43) TLR8MEN1KMT2A

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-103193697-B Light emitting element material and luminous element TORAY INDUSTRIES, INC. (JP) 2015-11-18 CN disclosed