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SCHEMBL25965995

SCHEMBL25965995

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTGER4 P35408 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL24078205 1.00 KDM4E (0.31) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25966456 0.98 KDM4E (0.32) KDM4EATML3MBTL1RXFP1
SCHEMBL25966362 0.98 KDM4E (0.32) KDM4EATML3MBTL1RXFP1
SCHEMBL25966550 0.97 KDM4E (0.33) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25966044 0.96 — —
SCHEMBL25965717 0.96 RXFP1 (0.32) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25966553 0.95 KDM4E (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25966451 0.95 KDM4E (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL16406774 0.94 PTGER4 (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25965941 0.94 PDE10A (0.33) RXFP1PDE10A

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