SCHEMBL21152181

SCHEMBL21152181

c1ccc(-n2c3ccccc3c3ccc(-c4cccc5ccccc45)cc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MCL1 Q07820 2/20 0.44
ACMSD Q8TDX5 1/20 0.44
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL26813204 0.97 KDM4E (0.51) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL26813214 0.94 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370405 0.94 L3MBTL1 (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370387 0.94 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370519 0.94 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370609 0.94 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370401 0.94 KDM4E (0.51) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL28638796 0.94 KDM4E (0.51) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL12699603 0.94 KDM4E (0.46) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL13309515 0.94 KDM4E (0.46) KDM4EATML3MBTL1MCL1ACMSD

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
EP-3119767-B1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-07-10 EP disclosed