SCHEMBL22814606

SCHEMBL22814606

CC1(C)c2cc(N)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PDK2 Q15119 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CHEK1 O14757 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ RET P07949 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PDGFRA P16234 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
SCHEMBL17692379 0.89 KDM4E (0.36) KDM4EPDK2ATML3MBTL1HDAC4
SCHEMBL17692346 0.88 KDM4E (0.38) KDM4EPDK2ATML3MBTL1HDAC4
SCHEMBL29850305 0.88 KDM4E (0.43) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL24729769 0.88 KDM4E (0.43) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17692350 0.88 KDM4E (0.35) KDM4EPDK2ATML3MBTL1
SCHEMBL17692374 0.88 KDM4E (0.35) KDM4EPDK2ATML3MBTL1
SCHEMBL12333877 0.87 PDK2 (0.42) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL12865721 0.86 KDM4E (0.38) KDM4EPDK2ATML3MBTL1HDAC4
SCHEMBL24725888 0.85 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17691629 0.83 KDM4E (0.36) KDM4EPDK2ATML3MBTL1HDAC4

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
EP-3754734-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2020-12-23 — — EP disclosed
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