SCHEMBL23626706

SCHEMBL23626706

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6ncccn6)cc5c5cc(-c6ncccn6)ccc54)cc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGER4 P35408 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTK2B Q14289 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ IL1R1 P14778 1/20 0.30
▸ NPY5R Q15761 1/20 0.30
▸ DHFR P00374 1/20 0.30
▸ PDE5A O76074 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
SCHEMBL23626655 0.91 L3MBTL1 (0.40) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL23626900 0.88 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL23627167 0.88 KDM4E (0.42) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL23626701 0.87 L3MBTL1 (0.49) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL23626711 0.86 L3MBTL1 (0.43) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL23626707 0.86 CYP11B1 (0.37) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL23626899 0.86 KDM4E (0.35) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL23790776 0.86 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL23790855 0.86 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL23790741 0.85 L3MBTL1 (0.41) KDM4EATML3MBTL1PTGER4ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210210696-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NITROGEN-CONTAINING COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-07-08 — — US disclosed
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