SCHEMBL26599461

SCHEMBL26599461

CC(C)(C)c1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)c(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ KCNK18 Q7Z418 1/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ MAPK14 Q16539 2/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ PTGS1 P23219 1/20 0.31

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
SCHEMBL30363263 1.00 PDK2 (0.39) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL30363478 0.93 KCNK18 (0.37) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL25125106 0.92 KCNK18 (0.38) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23927586 0.90 KCNK18 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL24772229 0.85 KCNK18 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL29892218 0.85 PDK2 (0.39) PDK2NPC1RAB9AL3MBTL1
SCHEMBL15713467 0.85 PDK2 (0.39) PDK2NPC1RAB9AL3MBTL1
SCHEMBL29440305 0.85 PDK2 (0.43) PDK2ALDH1A1L3MBTL1MAPK14
SCHEMBL796162 0.85 PDK2 (0.43) PDK2ALDH1A1L3MBTL1MAPK14
SCHEMBL25810334 0.84 KCNK18 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265624-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-10-25 — — EP disclosed
CN-115989725-A Compound and organic light emitting device including the same 株式会社LG化学 2023-04-18 — — CN disclosed
WO-2022139513-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-30 — — WO disclosed
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