SCHEMBL17777754

SCHEMBL17777754

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.45
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ AR P10275 1/20 0.34
▸ APP P05067 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP3A4 P08684 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ CHEK1 O14757 1/20 0.30

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
SCHEMBL10041508 0.90 PDK2 (0.50) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL30737911 0.90 PDK2 (0.50) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL18697121 0.89 PDK2 (0.41) PDK2MEN1MAPTKMT2ANPSR1
SCHEMBL19798347 0.88 PDK2 (0.50) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL20468061 0.88 PDK2 (0.42) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL24406663 0.87 PDK2 (0.44) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL18468750 0.87 PDK2 (0.42) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL13367405 0.87 PDK2 (0.48) PDK2APP
SCHEMBL30935420 0.87 PDK2 (0.51) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL9916947 0.87 PDK2 (0.51) PDK2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2016078747-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-05-26 — — WO disclosed
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