SCHEMBL25966455

SCHEMBL25966455

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
PTGER4 P35408 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HDAC4 P56524 1/20 0.32
IL1R1 P14778 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
RXRA P19793 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL25966477 1.00 KDM4E (0.42) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL17809363 0.99 KDM4E (0.41) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL20315856 0.99 KDM4E (0.41) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL20315906 0.99 KDM4E (0.41) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL25966554 0.99 KDM4E (0.41) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL25966574 0.99 KDM4E (0.41) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL23262650 0.98 KDM4E (0.40) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL22595586 0.98 KDM4E (0.42) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL25965730 0.98 KDM4E (0.42) KDM4EATML3MBTL1KMT2AGAA
SCHEMBL25966551 0.98 KDM4E (0.42) KDM4EATML3MBTL1KMT2AGAA

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