SCHEMBL19954081

SCHEMBL19954081

c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5cc(-c6cccc(-c7cc(-c8ccccc8)cc(N(c8ccc(-c9ccc%10c(c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)cc8)c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)c6)ccc53)c3ccccc3-4)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.39
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
XBP1 P17861 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
SMAD3 P84022 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL18998409 0.95 PDK2 (0.43) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL19624764 0.95 PDK2 (0.40) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL19007806 0.94 PDK2 (0.43) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL24646567 0.94 PDK2 (0.38) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL18998390 0.94 PDK2 (0.43) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL20710342 0.93 MEN1 (0.35) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL17780737 0.92 PDK2 (0.43) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL24646644 0.92 PDK2 (0.40) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL17461739 0.92 PDK2 (0.43) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL19001982 0.92 PDK2 (0.43) PDK2MAPTL3MBTL1MEN1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9917272-B2 Electronic device MERCK PATENT GMBH (DE) 2018-03-13 US disclosed