SCHEMBL21625839

SCHEMBL21625839

CC1(C)Cc2ccc(Nc3ccc(C(C)(C)C)cc3-c3ccccc3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.37
▸ KCNK18 Q7Z418 1/20 0.34
▸ MAPK14 Q16539 7/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ BUB1 O43683 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ATG4B Q9Y4P1 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
SCHEMBL21625857 0.83 TRPV1 (0.42) KIF11MAPK14NPC1NFKB1RAB9A
SCHEMBL22934074 0.81 CYP26A1 (0.40) KIF11KCNK18ABCG2AKR1C3AKR1C2
SCHEMBL23927586 0.81 KCNK18 (0.36) KIF11KCNK18ABCG2AKR1C3AKR1C2
SCHEMBL30503054 0.80 AKR1C3 (0.46) KCNK18ABCG2AKR1C3AKR1C2NPC1
SCHEMBL23118189 0.80 AKR1C3 (0.46) KCNK18ABCG2AKR1C3AKR1C2NPC1
SCHEMBL30980923 0.79 AKR1C3 (0.42) KIF11KCNK18ABCG2AKR1C3AKR1C2
SCHEMBL26485726 0.79 AKR1C3 (0.42) KIF11KCNK18ABCG2AKR1C3AKR1C2
SCHEMBL25120147 0.79 ALDH1A1 (0.44) KCNK18ABCG2AKR1C3AKR1C2NPC1
SCHEMBL30561839 0.79 ALDH1A1 (0.44) KCNK18ABCG2AKR1C3AKR1C2NPC1
SCHEMBL30363263 0.79 PDK2 (0.39) KIF11KCNK18MAPK14ABCG2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113812015-B Organic light emitting device 株式会社LG化学 2025-02-25 — — CN disclosed
CN-111372938-B Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2023-08-08 — — CN disclosed
US-20220384733-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2022-12-01 — — US disclosed
CN-113812015-A Organic light emitting device 株式会社LG化学 2021-12-17 — — CN disclosed
CN-111372938-A Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2020-07-03 — — CN disclosed
WO-2020017931-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-01-23 — — WO disclosed
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