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Sugi Predict / Compounds / SCHEMBL25966458

SCHEMBL25966458

SCHEMBL25966458

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1

nearest known ligand 0.37

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
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ PGR P06401 2/20 0.31
▸ ABCG2 Q9UNQ0 2/20 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
SCHEMBL2603602 1.00 KDM4E (0.35) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL24078191 0.98 KDM4E (0.34) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL18505533 0.98 KDM4E (0.34) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL18564366 0.98 KDM4E (0.34) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL25966464 0.97 KDM4E (0.36) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL25966371 0.97 KDM4E (0.33) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL24078471 0.97 PDE10A (0.34) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL25966467 0.97 KDM4E (0.33) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL25966563 0.96 KDM4E (0.35) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL18564267 0.96 KDM4E (0.34) KDM4EATML3MBTL1RXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 — — US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 — — US disclosed
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