SCHEMBL28243768

SCHEMBL28243768

CCc1cc(CC)c(N)c(CCS)c1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DHFR P00374 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL3802981 0.82 HTT (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL1334971 0.82 HTT (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL117142 0.79 HTT (0.46) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL3802566 0.78 HTT (0.39) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL1334752 0.78 HTT (0.39) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL1334943 0.78 HTT (0.39) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL6129163 0.75 ALDH1A1 (0.34) POLBALDH1A1
SCHEMBL393744 0.75 HTT (0.43) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL3795835 0.74 POLB (0.39) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL27612200 0.73 HTT (0.50) HTTPOLBALDH1A1MAPTNOS3

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-108474968-A The manufacturing method and eyeglass of eyeglass 豪雅镜片泰国有限公司 2018-08-31 CN disclosed