SCHEMBL29514944

SCHEMBL29514944

CC1(C)c2ccccc2-c2cc(Nc3ccccc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.51
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ AR P10275 1/20 0.45
▸ APP P05067 1/20 0.45
▸ ALOX12 P18054 5/20 0.45
▸ L3MBTL1 Q9Y468 5/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ ALOX15 P16050 3/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ CYP3A4 P08684 4/20 0.43
▸ HPGD P15428 3/20 0.43

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
SCHEMBL30804420 1.00 PDK2 (0.51) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL25984896 1.00 PDK2 (0.51) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13443230 1.00 PDK2 (0.51) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL30363346 0.95 PDK2 (0.44) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13443225 0.95 PDK2 (0.44) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL24055888 0.92 PDK2 (0.44) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL30266582 0.92 PDK2 (0.44) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14681512 0.92 PDK2 (0.44) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL26574674 0.92 PDK2 (0.48) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL24794291 0.91 PDK2 (0.43) PDK2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-112430189-B Pyrene organic electroluminescent material containing aromatic amine substitution 北京夏禾科技有限公司 2024-03-29 — — CN disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 — — CN disclosed
CN-117377371-A Amine-containing compound, light-emitting element including the same, electronic device, and electronic apparatus 三星显示有限公司 2024-01-09 — — CN disclosed
CN-116322099-A Diamine compound, light-emitting device and electronic device including the same 三星显示有限公司 2023-06-23 — — 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
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