SCHEMBL28478673

SCHEMBL28478673

CCCCCCCCCCCCCCCCCCCCc1cccc(N)c1CCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
TLR8 Q9NR97 5/20 0.44
KCNH2 Q12809 2/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
TYR P14679 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42

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
SCHEMBL31683741 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL2294586 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL365190 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL4309767 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL119639 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11780639 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL2293519 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9019468 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL4308876 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6556564 1.00 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1

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
CN-111748216-A Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction 苏州美嘉写智能显示科技有限公司 2020-10-09 CN claimed
CN-111748216-B Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction 苏州美嘉写智能显示科技有限公司 2021-12-31 CN disclosed
CN-111748216-A Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction 苏州美嘉写智能显示科技有限公司 2020-10-09 CN disclosed