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Sugi Predict / Compounds / SCHEMBL18934053

SCHEMBL18934053

SCHEMBL18934053

C1=Cc2c(n(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)n3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGER4 P35408 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ AVPR1A P37288 1/20 0.30
▸ TSPO P30536 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
SCHEMBL25916046 0.93 KDM4E (0.35) KDM4EATML3MBTL1PTGER4ABCG2
SCHEMBL12966441 0.93 KDM4E (0.35) KDM4EATML3MBTL1PTGER4ABCG2
SCHEMBL19801310 0.93 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4ABCG2
SCHEMBL6468875 0.92 KDM4E (0.38) KDM4EATML3MBTL1PTGER4ABCG2
SCHEMBL9883306 0.92 KDM4E (0.38) KDM4EATML3MBTL1PTGER4ABCG2
SCHEMBL26568231 0.91 KDM4E (0.32) KDM4EATML3MBTL1ABCG2
SCHEMBL21319946 0.91 KDM4E (0.33) KDM4EATML3MBTL1PTGER4
SCHEMBL24860522 0.90 KDM4E (0.34) KDM4EATML3MBTL1PTGER4
SCHEMBL23740230 0.90 KDM4E (0.34) KDM4EATML3MBTL1PTGER4
SCHEMBL19041760 0.89 FAAH (0.31) ATMAVPR1A

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-2017095156-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-08 — — WO disclosed
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