SCHEMBL28216898

SCHEMBL28216898

CCCCC1CCCc2ccc3c(ccc4ccccc43)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HPRT1 P00492 1/20 0.36
DPP4 P27487 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
HTT P42858 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2C P28335 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL27786102 0.87 ADRA2A (0.42) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL27805312 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL28123487 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL28140151 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL28126370 0.81 ADRA2A (0.42) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL28159355 0.81 ADRA2A (0.42) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL28197359 0.81 ADRA2A (0.42) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL28133212 0.81 ADRA2A (0.42) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL27865360 0.81 ADRA2A (0.45) ADRA2AADRA2BADRA2CHPRT1CYP1A2
SCHEMBL28148564 0.79 ADRA2A (0.41) ADRA2AADRA2BADRA2CHPRT1CYP1A2

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-108102644-A A kind of red light emitting fluorescent dye and preparation method and application 苏州百源基因技术有限公司 2018-06-01 CN disclosed