SCHEMBL16547423

SCHEMBL16547423

OC1(c2ccccc2-c2ccccc2)c2cccnc2-c2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CDC25B P30305 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 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
SCHEMBL5346770 0.84 PDK2 (0.49) PDK2CYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL14099219 0.83 PDK2 (0.55) PDK2CYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL15587219 0.83 PDK2 (0.55) PDK2ALDH1A1MAPK1HSD17B10CA1
SCHEMBL16547420 0.78 PDK2 (0.45) PDK2CYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL16684045 0.76 PDK2 (0.46) PDK2ALDH1A1MAPK1CA1CA2
SCHEMBL21065364 0.75 PDK2 (0.47) PDK2ALDH1A1MAPK1HSD17B10CA1
SCHEMBL16547425 0.75 PDK2 (0.39) PDK2CYP1A2CYP2C19KMT2ACA1
SCHEMBL22609091 0.73 PDK2 (0.45) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL29398474 0.73 PDK2 (0.45) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL15213615 0.72 ALDH1A1 (0.48) PDK2ALDH1A1MAPK1HSD17B10CA1

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-9722191-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 — — US disclosed
US-9722191-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 — — US disclosed
US-20160043330-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-11 — — US disclosed
US-20160043330-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-11 — — US disclosed
US-20150060808-A1 INDENOPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2015-03-05 — — US disclosed
US-20150060808-A1 INDENOPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2015-03-05 — — US disclosed
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