SCHEMBL29514710

SCHEMBL29514710

CC(C)(C)c1cccc(Nc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.54
HDAC8 Q9BY41 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
GRM4 Q14833 1/20 0.50
KCNK18 Q7Z418 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
AR P10275 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.48
TNNI3K Q59H18 1/20 0.48
IDH2 P48735 2/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
STK10 O94804 1/20 0.46
SLK Q9H2G2 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL21625856 1.00 KIF11 (0.54) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL31322178 0.94 KIF11 (0.50) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL22225354 0.94 KIF11 (0.50) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL3398439 0.94 ALDH1A1 (0.60) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL21252630 0.92 KIF11 (0.56) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL30365006 0.92 KIF11 (0.56) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL22938476 0.87 P2RX1 (0.47) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL26316048 0.87 P2RX1 (0.50) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL12266446 0.87 MAPT (0.53) KIF11HDAC8HDAC3HDAC6ABCG2
SCHEMBL19683392 0.87 ABCG2 (0.56) KIF11HDAC8HDAC3HDAC6ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679531-B Boron-containing compound and organic electroluminescent device containing same 北京鼎材科技有限公司 2025-02-18 CN disclosed
CN-113228335-B Organic light emitting device 株式会社LG化学 2024-11-29 CN disclosed
CN-118955356-A Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2024-11-15 CN disclosed
CN-114181094-B Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2024-08-27 CN disclosed
CN-113396151-B Polycyclic compound and organic light-emitting element including the same 株式会社LG化学 2024-04-05 CN disclosed
CN-113646915-B Organic light emitting device 株式会社LG化学 2024-03-19 CN disclosed
CN-112236434-B Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2024-02-23 CN disclosed
CN-113906581-B Organic light-emitting element 株式会社LG化学 2024-01-23 CN disclosed
CN-113875033-B Organic light emitting device 株式会社LG化学 2023-12-26 CN disclosed
CN-113841264-B Organic light-emitting element 株式会社LG化学 2023-08-15 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
CN-114181094-A Organic compound and organic electroluminescent element comprising the same 材料科学有限公司 2022-03-15 CN disclosed