SCHEMBL25966550

SCHEMBL25966550

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER4 P35408 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PGR P06401 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL25965717 0.99 RXFP1 (0.32) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25966553 0.98 KDM4E (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25966451 0.98 KDM4E (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL24078205 0.97 KDM4E (0.31) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25965995 0.97 KDM4E (0.31) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL25965941 0.97 PDE10A (0.33) RXFP1PDE10A
SCHEMBL25966454 0.97 KDM4E (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL24217426 0.97 RXFP1 (0.33) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL25965772 0.96 PDE10A (0.33) KDM4EATML3MBTL1RXFP1PDE10A
SCHEMBL25966362 0.95 KDM4E (0.32) 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