SCHEMBL23626712

SCHEMBL23626712

c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6ccccc6c6c7c(c8ccccc8n7-c7ccccc7)c7c(c8ccccc8n7-c7ccccc7)c65)c4)c3c2)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
▸ AVPR1A P37288 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ IL1R1 P14778 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 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
SCHEMBL23627167 0.93 KDM4E (0.42) KDM4EATML3MBTL1AVPR1AKMT2A
SCHEMBL23626701 0.93 L3MBTL1 (0.49) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL23626655 0.92 L3MBTL1 (0.40) KDM4EATML3MBTL1AVPR1AKMT2A
SCHEMBL23626711 0.92 L3MBTL1 (0.43) KDM4EATML3MBTL1AVPR1AKMT2A
SCHEMBL23626900 0.91 L3MBTL1 (0.42) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL23626657 0.90 L3MBTL1 (0.42) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL21472377 0.90 KDM4E (0.43) KDM4EATML3MBTL1AVPR1AKMT2A
SCHEMBL22672152 0.89 L3MBTL1 (0.47) KDM4EATML3MBTL1AVPR1AKMT2A
SCHEMBL23626681 0.88 ESR1 (0.45) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL15394787 0.88 L3MBTL1 (0.46) KDM4EATML3MBTL1AVPR1AKMT2A

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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