SCHEMBL28570817

SCHEMBL28570817

CC(C)(C)c1ccc2c(c1)C1CCc3ccccc3C1N2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 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
SCHEMBL8946492 0.86 KDM4E (0.55) KIF11KDM4EALDH1A1LMNAMAPT
SCHEMBL8946522 0.86 KDM4E (0.55) KIF11KDM4EALDH1A1LMNAMAPT
SCHEMBL8946530 0.86 KDM4E (0.55) KIF11KDM4EALDH1A1LMNAMAPT
SCHEMBL10061178 0.80 AURKA (0.46)
SCHEMBL13365182 0.69 KIF11 (0.44) KIF11LMNA
SCHEMBL25629662 0.69 AURKA (0.40) KDM4ELMNAMAPTHTT
SCHEMBL8946299 0.68 KDM4E (0.55) KIF11KDM4EALDH1A1LMNAMAPT
SCHEMBL8946297 0.68 KDM4E (0.55) KIF11KDM4EALDH1A1LMNAMAPT
SCHEMBL8946301 0.68 KDM4E (0.55) KIF11KDM4EALDH1A1LMNAMAPT
SCHEMBL15609322 0.67 SRD5A1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112236434-B Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2024-02-23 CN disclosed
CN-113841264-B Organic light-emitting element 株式会社LG化学 2023-08-15 CN disclosed
CN-113841264-A Organic light emitting element 株式会社LG化学 2021-12-24 CN disclosed
CN-112236434-A Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2021-01-15 CN disclosed