SCHEMBL28229028

SCHEMBL28229028

CCCCCc1cccc2c1C(C)(C)C(C)=N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
LIPG Q9Y5X9 1/20 0.39
KCNH2 Q12809 1/20 0.39
TYR P14679 1/20 0.37
TLR8 Q9NR97 6/20 0.37
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 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
Iodide SCHEMBL27547267 0.94 MEN1 (0.43) MEN1KMT2AALOX5PTGS2LIPG
SCHEMBL28229027 0.87 MEN1 (0.38) MEN1KMT2AALOX5PTGS2LIPG
SCHEMBL28110233 0.82 MEN1 (0.41) MEN1KMT2AALOX5PTGS2LIPG
SCHEMBL28179880 0.82 MEN1 (0.49) MEN1KMT2AKCNH2
SCHEMBL724483 0.80 F13A1 (0.42) MEN1KMT2A
SCHEMBL4349057 0.77 MEN1 (0.51) MEN1KMT2A
SCHEMBL10861846 0.75 MEN1 (0.40) MEN1KMT2APTGS2LIPGKCNH2
SCHEMBL20415566 0.73 LIPG (0.46) ALOX5PTGS2LIPGKCNH2BID
SCHEMBL861958 0.69 LIPG (0.53) ALOX5PTGS2LIPGKCNH2TYR
Iodide SCHEMBL27944610 0.69 MEN1 (0.53) MEN1KMT2AMCL1

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-108192376-A A kind of Cyanine dyestuff and preparation method 深圳大学 2018-06-22 CN disclosed