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SCHEMBL25966451

SCHEMBL25966451

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PGR P06401 2/20 0.31
▸ ABCG2 Q9UNQ0 2/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL24217426 0.99 RXFP1 (0.33) KDM4EATML3MBTL1RXFP1PGR
SCHEMBL25966550 0.98 KDM4E (0.33) KDM4EATML3MBTL1RXFP1PGR
SCHEMBL25966454 0.97 KDM4E (0.35) KDM4EATML3MBTL1RXFP1PTGER4
SCHEMBL25966456 0.97 KDM4E (0.32) KDM4EATML3MBTL1RXFP1
SCHEMBL25966362 0.97 KDM4E (0.32) KDM4EATML3MBTL1RXFP1
SCHEMBL25965717 0.97 RXFP1 (0.32) KDM4EATML3MBTL1RXFP1PGR
SCHEMBL18564307 0.97 PGR (0.33) KDM4EATML3MBTL1RXFP1PGR
SCHEMBL25966553 0.96 KDM4E (0.34) KDM4EATML3MBTL1RXFP1PTGER4
SCHEMBL25965772 0.96 PDE10A (0.33) KDM4EATML3MBTL1RXFP1PGR
SCHEMBL24078205 0.95 KDM4E (0.31) KDM4EATML3MBTL1RXFP1PTGER4

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