SCHEMBL17784242

SCHEMBL17784242

CCCCCCCCCCCCCCOc1cc2nsnc2cc1OCCCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.45
SMPD1 P17405 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM2 P08172 2/20 0.39
ADRA2A P08913 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL19822077 1.00 TLR8 (0.45) TLR8SMPD1CHRM1CHRM2ADRA2A
SCHEMBL15052591 1.00 TLR8 (0.45) TLR8SMPD1CHRM1CHRM2ADRA2A
SCHEMBL17791368 0.90 ESR1 (0.42) TLR8CHRM1CHRM2ADRA2AHTR2B
SCHEMBL19799300 0.90 ESR1 (0.42) TLR8CHRM1CHRM2ADRA2AHTR2B
SCHEMBL17273703 0.89 TLR8 (0.40) TLR8CHRM1CHRM2ADRA2AHTR2B
SCHEMBL15826204 0.89 TLR8 (0.40) TLR8CHRM1CHRM2ADRA2AHTR2B
SCHEMBL6933511 0.79 TLR8 (0.50) TLR8SMPD1CHRM2ADRA2AHTR2B
SCHEMBL2246934 0.79 TLR8 (0.50) TLR8SMPD1CHRM2ADRA2AHTR2B
SCHEMBL15172894 0.77 ALDH1A1 (0.55) TLR8CHRM2ADRA2AHTR2BSLC6A3
SCHEMBL202536 0.76 NR5A1 (0.45) TLR8SMPD1CHRM2ADRA2AHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005956-B2 Compositions, articles, and methods for down-converting light and other applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
US-20160152890-A1 COMPOSITIONS, ARTICLES, AND METHODS FOR DOWN-CONVERTING LIGHT AND OTHER APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-02 US disclosed
WO-2016086123-A1 COMPOSITIONS, ARTICLES, AND METHODS FOR DOWN-CONVERTING LIGHT AND OTHER APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-02 WO disclosed