SCHEMBL20714496

SCHEMBL20714496

C1=Cc2c(n(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)cc6)cc5)cc4)cc3)c3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC4 P56524 1/20 0.34
▸ PTPN1 P18031 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
SCHEMBL23784481 0.98 KDM4E (0.39) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL13003016 0.98 KDM4E (0.37) KDM4EATML3MBTL1HDAC4
SCHEMBL19311765 0.98 KDM4E (0.34) KDM4EATML3MBTL1HDAC4
SCHEMBL23791162 0.96 KDM4E (0.41) KDM4EATML3MBTL1PTPN1
SCHEMBL17384138 0.95 L3MBTL1 (0.34) KDM4EATML3MBTL1HDAC4
SCHEMBL12480075 0.94 KDM4E (0.40) KDM4EATML3MBTL1PTPN1
SCHEMBL13978143 0.92 KDM4E (0.38) KDM4EATML3MBTL1HDAC4
SCHEMBL13978388 0.92 KDM4E (0.38) KDM4EATML3MBTL1HDAC4
SCHEMBL22892918 0.91 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL23784476 0.90 KDM4E (0.38) KDM4EATML3MBTL1

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-2019026728-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING COMPOUND HAVING BENZOAZOLE RING STRUCTURE 保土谷化学工業株式会社 2019-02-07 — — WO disclosed
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