SCHEMBL24969285

SCHEMBL24969285

CC(C)(C)c1cc(Nc2ccc3c(c2)C(C)(C)c2cc(-c4ccccc4)ccc2-3)cc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ SERPINE1 P05121 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ RXRA P19793 4/20 0.33
▸ RXRB P28702 4/20 0.33
▸ RXRG P48443 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ HSD17B2 P37059 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
SCHEMBL9916948 0.88 PDK2 (0.43) PDK2
SCHEMBL16366599 0.86 PDK2 (0.46) PDK2
SCHEMBL16366511 0.86 PDK2 (0.46) PDK2
SCHEMBL9916964 0.86 PDK2 (0.46) PDK2
SCHEMBL15713473 0.86 PDK2 (0.46) PDK2
SCHEMBL16366512 0.85 PDK2 (0.48) PDK2
SCHEMBL9916951 0.85 PDK2 (0.48) PDK2
SCHEMBL22870486 0.85 PDK2 (0.44) PDK2SERPINE1RXRARXRBRXRG
SCHEMBL29416687 0.85 PDK2 (0.44) PDK2SERPINE1RXRARXRBRXRG
SCHEMBL31026100 0.84 PDK2 (0.40) PDK2SERPINE1RXRARXRB

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-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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