SCHEMBL20468061

SCHEMBL20468061

CC1(C)c2ccccc2-c2cccc(-c3ccc(Nc4ccccc4)cc3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ ALOX12 P18054 5/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HPGD P15428 3/20 0.40
▸ MAPT P10636 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ AR P10275 1/20 0.38
▸ CYP3A4 P08684 4/20 0.37
▸ LMNA P02545 2/20 0.37

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
SCHEMBL30681704 0.95 PDK2 (0.38) PDK2ALDH1A1ALOX12L3MBTL1HSD17B10
SCHEMBL21615065 0.90 PDK2 (0.44) PDK2ALDH1A1ALOX12L3MBTL1HSD17B10
SCHEMBL17777754 0.88 PDK2 (0.45) PDK2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL22001169 0.88 MAPT (0.44) PDK2ALDH1A1ALOX12L3MBTL1HSD17B10
SCHEMBL3271140 0.86 PGR (0.37) PDK2ALDH1A1HSD17B10TDP1SLC6A2
SCHEMBL26006876 0.86 PDK2 (0.39) PDK2ALDH1A1ALOX12L3MBTL1HSD17B10
SCHEMBL24968671 0.85 MAPT (0.38) PDK2ALDH1A1ALOX12L3MBTL1HSD17B10
SCHEMBL30084636 0.84 ALDH1A1 (0.41) PDK2ALDH1A1HSD17B10TDP1SLC6A2
SCHEMBL706442 0.84 ALDH1A1 (0.41) PDK2ALDH1A1HSD17B10TDP1SLC6A2
SCHEMBL29919652 0.84 ALDH1A1 (0.41) PDK2ALDH1A1HSD17B10TDP1SLC6A2

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
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
WO-2023113334-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
US-20230111469-A1 Organic Electronic Device DUK SAN NEOLUX CO., LTD. (KR) 2023-04-13 — — US disclosed
EP-3577101-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-03 — — EP disclosed
WO-2018141706-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 — — WO disclosed
Send feedback