SCHEMBL30721691

SCHEMBL30721691

CC1(C)c2cc(Nc3ccccc3)ccc2-c2c(-c3ccccc3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ AR P10275 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ APP P05067 1/20 0.38
▸ HSD17B10 Q99714 5/20 0.36
▸ TSHR P16473 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CYP3A4 P08684 4/20 0.36

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
SCHEMBL25657121 1.00 PDK2 (0.47) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL24969757 0.97 PDK2 (0.43) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL24969648 0.96 PDK2 (0.43) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL24969298 0.95 PDK2 (0.42) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL24968708 0.94 PDK2 (0.44) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL24406663 0.92 PDK2 (0.44) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL24969179 0.91 PDK2 (0.41) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL24969666 0.90 PDK2 (0.40) PDK2MEN1MAPTKMT2ANPSR1
SCHEMBL24969745 0.90 PDK2 (0.40) PDK2MEN1MAPTKMT2ANPSR1
SCHEMBL30785104 0.90 ALDH1A1 (0.45) PDK2ALDH1A1MEN1MAPTKMT2A

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
CN-117623944-A Amine compound, light-emitting element comprising amine compound, and display device comprising light-emitting element 三星显示有限公司 2024-03-01 — — CN disclosed
CN-117510345-A Light-emitting device and amine compound for light-emitting device 三星显示有限公司 2024-02-06 — — CN disclosed
CN-117142961-A Amine-containing compound, light-emitting device including the same, electronic device, and electronic apparatus 三星显示有限公司 2023-12-01 — — CN disclosed
Send feedback