SCHEMBL28645967

SCHEMBL28645967

CCCCCCCCCc1c(N)cc(N)c(CCCCCCCCC)c1N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.41
ALOX5 P09917 5/20 0.41
PTGS2 P35354 3/20 0.41
HTR2A P28223 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
SRC P12931 1/20 0.41
CYP3A4 P08684 1/20 0.38
TLR8 Q9NR97 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL840298 0.89 SKP2 (0.42) SKP2ALOX5PTGS2HTR2AGPR84
SCHEMBL3695485 0.84 TSHR (0.44) HTR2ATLR8ALDH1A1MAPT
SCHEMBL10345132 0.84 TSHR (0.44) HTR2ATLR8ALDH1A1MAPT
SCHEMBL10345139 0.84 TSHR (0.44) HTR2ATLR8ALDH1A1MAPT
SCHEMBL10345217 0.84 TSHR (0.44) HTR2ATLR8ALDH1A1MAPT
SCHEMBL10344837 0.84 TSHR (0.44) HTR2ATLR8ALDH1A1MAPT
SCHEMBL10345129 0.81 TLR8 (0.41) HTR2ATLR8ALDH1A1MAPT
SCHEMBL29037512 0.81 TLR8 (0.41) HTR2ATLR8ALDH1A1MAPT
SCHEMBL23069394 0.81 SKP2 (0.44) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL28646785 0.80 SKP2 (0.41) SKP2ALOX5PTGS2HTR2AGPR84

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-113497209-A Organic electroluminescent device and condensed cyclic compound used therefor 三星显示有限公司 2021-10-12 CN disclosed