SCHEMBL17759935

SCHEMBL17759935

CC1(C)c2ccccc2-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3Nc3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGER4 P35408 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL20838554 0.89 KDM4E (0.34) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL21446188 0.89 KDM4E (0.37) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL21446426 0.88 KDM4E (0.36) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL25263400 0.87 KDM4E (0.33) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL17759701 0.87 KDM4E (0.33) KDM4EATML3MBTL1HDAC4
SCHEMBL29364556 0.87 KDM4E (0.33) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL17661370 0.86 HDAC4 (0.34) KDM4EATML3MBTL1HDAC4
SCHEMBL17759639 0.86 KDM4E (0.35) KDM4EATML3MBTL1HDAC4
SCHEMBL17178643 0.85 KDM4E (0.43) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL25858256 0.85 KDM4E (0.38) KDM4EATML3MBTL1PTGER4HDAC4

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-2016076629-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-19 — — WO disclosed
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