SCHEMBL25965244

SCHEMBL25965244

c1ccc(-c2cccc(-c3ccc4c(c3)oc3cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)ccc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.32
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
PRKDC P78527 1/20 0.31
AVPR1A P37288 1/20 0.31
HPSE Q9Y251 1/20 0.31
KMT2A Q03164 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 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
SCHEMBL24716540 0.98 ATM (0.35) KDM4EATML3MBTL1ABCG2MMP12
SCHEMBL23601927 0.98 L3MBTL1 (0.38) KDM4EATML3MBTL1ABCG2MMP12
SCHEMBL26785979 0.97 KDM4E (0.35) KDM4EATML3MBTL1ABCG2MMP12
SCHEMBL23598655 0.97 KDM4E (0.35) KDM4EATML3MBTL1ABCG2MMP12
SCHEMBL19769768 0.97 ATM (0.35) KDM4EATML3MBTL1MMP12MMP13
SCHEMBL23598464 0.96 KDM4E (0.36) KDM4EATML3MBTL1ABCG2MMP12
SCHEMBL27070305 0.96 ATM (0.36) KDM4EATML3MBTL1MMP12MMP13
SCHEMBL23598480 0.96 KDM4E (0.36) KDM4EATML3MBTL1ABCG2MMP12
SCHEMBL24390326 0.96 KDM4E (0.33) KDM4EATML3MBTL1ABCG2MMP12
SCHEMBL24390342 0.96 ATM (0.35) KDM4EATML3MBTL1MMP12MMP13

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