SCHEMBL28115162

SCHEMBL28115162

c1ccc2c(c1)Cc1c-2cccc1-c1c2ccccc2c(-c2cccc3c2Cc2ccccc2-3)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTR7 P34969 2/20 0.41
HTR2B P41595 1/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 2/20 0.41
MAOA P21397 1/20 0.40
PGR P06401 1/20 0.40
MAP3K9 P80192 4/20 0.39
MAP3K11 Q16584 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4022045 0.87 PNMT (0.55) PNMTCA1CA2CA4CA6
SCHEMBL30103334 0.87 PNMT (0.63) PNMTCA1CA2CA4CA6
SCHEMBL524602 0.87 PNMT (0.63) PNMTCA1CA2CA4CA6
SCHEMBL2877998 0.84 PNMT (0.61) PNMTCA1CA2CA4CA6
SCHEMBL30163133 0.83 PNMT (0.52) PNMTCA1CA2CA4CA6
SCHEMBL12203233 0.83 ALOX5 (0.43) PNMTCA1CA2CA4CA6
SCHEMBL29555007 0.82 PNMT (0.50) PNMTCA1CA2CA4CA6
SCHEMBL6675750 0.82 PNMT (0.50) PNMTCA1CA2CA4CA6
SCHEMBL9068626 0.80 PNMT (0.53) PNMTCA1CA2CA4CA6
Fluorene SCHEMBL28444035 0.80 PNMT (0.49) PNMTCA1CA2CA4CA6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106348993-B Bury in oblivion agent and its preparation and application method applied to converting system on T-T annihilation 天津大学 2019-07-19 CN claimed
CN-106348993-A Annihilation agent applied to triplet-triplet annihilation up-conversion system, and preparation and application methods thereof 天津大学 2017-01-25 CN claimed
CN-106348993-B Bury in oblivion agent and its preparation and application method applied to converting system on T-T annihilation 天津大学 2019-07-19 CN disclosed
CN-106348993-A Annihilation agent applied to triplet-triplet annihilation up-conversion system, and preparation and application methods thereof 天津大学 2017-01-25 CN disclosed
CN-106348993-A Annihilation agent applied to triplet-triplet annihilation up-conversion system, and preparation and application methods thereof 天津大学 2017-01-25 CN disclosed