SCHEMBL19061303

SCHEMBL19061303

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)cc6)c45)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.35
▸ DUSP3 P51452 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ ATM Q13315 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
SCHEMBL19061330 0.97 PDK2 (0.36) PDK2DUSP3KMT2AMEN1KDM4E
SCHEMBL19061304 0.94 PDK2 (0.34) PDK2DUSP3KMT2AMEN1KDM4E
SCHEMBL19061704 0.94 PDK2 (0.33) PDK2DUSP3KMT2AMEN1KDM4E
SCHEMBL19061340 0.91 PDK2 (0.34) PDK2DUSP3KMT2AMEN1KDM4E
SCHEMBL19061866 0.91 PDK2 (0.33) PDK2DUSP3KDM4EL3MBTL1HDAC4
SCHEMBL19061497 0.91 PDK2 (0.36) PDK2KMT2AMEN1KDM4EALDH1A1
SCHEMBL19061212 0.91 PDK2 (0.36) PDK2KMT2AMEN1KDM4EALDH1A1
SCHEMBL17809227 0.91 PDK2 (0.33) PDK2DUSP3KMT2AMEN1KDM4E
SCHEMBL19061861 0.91 KDM4E (0.36) PDK2DUSP3KDM4EL3MBTL1HDAC4
SCHEMBL19061306 0.91 PDK2 (0.36) PDK2DUSP3KDM4EL3MBTL1ATM

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
WO-2017111389-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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