SCHEMBL31584054

SCHEMBL31584054

CC(C)(C)c1cc(-c2cccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.44
▸ PDK2 Q15119 8/20 0.42
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ SYK P43405 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ STK10 O94804 1/20 0.33
▸ SLK Q9H2G2 1/20 0.33
▸ KCNK18 Q7Z418 1/20 0.33

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
SCHEMBL30359216 0.99 CNR1 (0.43) CNR1PDK2RXRARXRBSYK
SCHEMBL29416687 0.90 PDK2 (0.44) CNR1PDK2RXRARXRB
SCHEMBL22870486 0.90 PDK2 (0.44) CNR1PDK2RXRARXRB
SCHEMBL20196495 0.86 PDK2 (0.47) PDK2MAPK14KIF11ABCG2STK10
SCHEMBL29706077 0.86 PDK2 (0.47) PDK2MAPK14KIF11ABCG2STK10
SCHEMBL20935760 0.86 PDK2 (0.46) CNR1PDK2STK10SLK
SCHEMBL29440300 0.86 PDK2 (0.49) CNR1PDK2SYKSTK10SLK
SCHEMBL15275876 0.86 PDK2 (0.49) CNR1PDK2SYKSTK10SLK
SCHEMBL31026093 0.84 PDK2 (0.41) PDK2MAPK14KIF11ABCG2STK10
SCHEMBL31755072 0.84 KCNK18 (0.38) CNR1PDK2KCNK18

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-2025105827-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 엘티소재주식회사 2025-05-22 — — WO disclosed
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