SCHEMBL29450659

SCHEMBL29450659

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(Cl)c4)ncn3)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.49
▸ KMO O15229 1/20 0.46
▸ PGR P06401 7/20 0.44
▸ FAAH O00519 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ MAOB P27338 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MAP4K4 O95819 3/20 0.38
▸ STK4 Q13043 2/20 0.38
▸ STK3 Q13188 2/20 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
SCHEMBL20137307 1.00 PDK2 (0.49) PDK2KMOPGRFAAHDPP4
SCHEMBL17280875 0.89 KMO (0.42) PDK2KMO
SCHEMBL17273276 0.89 KMO (0.42) PDK2KMO
SCHEMBL17273403 0.89 KMO (0.42) PDK2KMO
SCHEMBL29380712 0.88 MIF (0.44) PDK2KMO
SCHEMBL17326962 0.87 PDK2 (0.61) PDK2PGR
SCHEMBL20601887 0.87 PDK2 (0.49) PDK2PGRMAOB
SCHEMBL30340694 0.87 PDK2 (0.49) PDK2PGRMAOB
SCHEMBL22989980 0.86 PDK2 (0.59) PDK2PGR
SCHEMBL30709024 0.86 PDK2 (0.59) PDK2PGR

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-114284447-A Organic compound, light-emitting element, and method for synthesizing organic compound 株式会社半导体能源研究所 2022-04-05 — — CN disclosed
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