SCHEMBL21140069

SCHEMBL21140069

CC1CC(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)=CC=C1c1cc#ccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL21539958 0.80 KDM4E (0.44) HDAC4KDM4EATML3MBTL1
SCHEMBL19060367 0.76 KDM4E (0.44) HDAC4KDM4EATML3MBTL1
SCHEMBL25983560 0.74 KDM4E (0.38) HDAC4KDM4EATML3MBTL1
SCHEMBL20859805 0.73 KDM4E (0.33) HDAC4KDM4EATML3MBTL1
SCHEMBL27254554 0.73 — —
SCHEMBL23192979 0.72 — —
SCHEMBL23784475 0.71 KDM4E (0.44) HDAC4KDM4EATML3MBTL1
SCHEMBL19721633 0.71 L3MBTL1 (0.42) HDAC4KDM4EATML3MBTL1
SCHEMBL24119078 0.70 L3MBTL1 (0.59) HDAC4KDM4EATML3MBTL1
SCHEMBL25159601 0.70 L3MBTL1 (0.59) HDAC4KDM4EATML3MBTL1

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-3502107-A1 1-AMINODIBENZOFURAN-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-06-26 — — EP disclosed
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