SCHEMBL21763375

SCHEMBL21763375

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(N)c4ccc5ccccc5c4)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.36
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL21763429 0.95 LPL (0.38) PDK2LPLLIPGESR1ESR2
SCHEMBL12703011 0.91 PDK2 (0.38) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL21973024 0.88 PDK2 (0.42) PDK2
SCHEMBL24687352 0.85 LPL (0.40) PDK2LPLLIPGESR1ESR2
SCHEMBL24686802 0.85 LPL (0.40) PDK2LPLLIPGESR1ESR2
SCHEMBL17886997 0.85 PDK2 (0.39) PDK2SLC6A2SLC6A4
SCHEMBL21787751 0.85 PDK2 (0.39) PDK2SLC6A2SLC6A4
SCHEMBL10034380 0.85 LPL (0.38) PDK2LPLLIPGESR1ESR2
SCHEMBL16366322 0.85 PDK2 (0.41) PDK2LPLLIPGESR1ESR2
SCHEMBL16366418 0.85 PDK2 (0.41) PDK2LPLLIPGESR1ESR2

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
EP-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 — — EP disclosed
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