SCHEMBL25966575

SCHEMBL25966575

c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PTGER4 P35408 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
AVPR1A P37288 1/20 0.32
HDAC4 P56524 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IL1R1 P14778 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
SCHEMBL26052783 0.99 KDM4E (0.38) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL26052865 0.99 KDM4E (0.38) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL18593796 0.98 L3MBTL1 (0.42) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL26055684 0.97 KDM4E (0.39) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL25965997 0.97 KDM4E (0.39) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL25966015 0.97 KDM4E (0.39) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL26055685 0.97 KDM4E (0.39) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL16452143 0.97 KDM4E (0.39) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL25966558 0.97 KDM4E (0.39) KDM4EATML3MBTL1KMT2AABCG2
SCHEMBL20315867 0.97 KDM4E (0.38) KDM4EATML3MBTL1KMT2AABCG2

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