SCHEMBL21747012

SCHEMBL21747012

c1cc(-c2cccc3ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6ccccc56)c4)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ MCL1 Q07820 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37

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
SCHEMBL22145947 0.97 ATM (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL25941724 0.97 ATM (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL21151636 0.97 L3MBTL1 (0.49) KDM4EATML3MBTL1CA12CA1
SCHEMBL10130269 0.97 CA12 (0.46) KDM4EATML3MBTL1CA12CA1
SCHEMBL22145932 0.96 ATM (0.44) KDM4EATML3MBTL1CA12CA1
SCHEMBL19168560 0.96 L3MBTL1 (0.47) KDM4EATML3MBTL1CA12CA1
SCHEMBL21747147 0.95 KDM4E (0.46) KDM4EATML3MBTL1CA12CA1
SCHEMBL10130265 0.94 CA12 (0.46) KDM4EATML3MBTL1CA12CA1
SCHEMBL10042661 0.94 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL23468738 0.94 POLB (0.38) KDM4EATML3MBTL1CA12CA1

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-20200058874-A1 ORGANIC ELECTROLUMINESCENCE DEVICE LG DISPLAY CO., LTD. (KR) 2020-02-20 — — US disclosed
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