SCHEMBL25516209

SCHEMBL25516209

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2c(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cccc2-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.34
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
DNMT1 P26358 3/20 0.34
KIF11 P52732 3/20 0.33
KCNH2 Q12809 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.31
NOTUM Q6P988 1/20 0.30
NR1H3 Q13133 1/20 0.30
SERPINE1 P05121 1/20 0.30

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
SCHEMBL31666379 0.85 KIF11 (0.41) HTR1DPGRRORARORCRORB
SCHEMBL10029968 0.85 SERPINE1 (0.38) HTR1DPGRRORARORCRORB
SCHEMBL30322756 0.83 KDM4E (0.40) PGRRORARORCRORBKIF11
SCHEMBL15468973 0.82 HTR1D (0.44) HTR1DPGRRORARORCRORB
SCHEMBL25516217 0.82
SCHEMBL31297416 0.81 NOTUM (0.42) HTR1DPGRRORARORCRORB
SCHEMBL63688 0.81 NOTUM (0.42) HTR1DPGRRORARORCRORB
SCHEMBL13232659 0.80 KDM4E (0.44) HTR1DPGRRORARORCRORB
SCHEMBL13232661 0.80 KDM4E (0.44) HTR1DPGRRORARORCRORB
SCHEMBL13232656 0.80 KDM4E (0.44) HTR1DPGRRORARORCRORB

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
WO-2023093094-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS 昆山国显光电有限公司 2023-06-01 WO disclosed