SCHEMBL21765727

SCHEMBL21765727

CC1CC=Cc2c1n(-c1ccc3c(c1)c1ccccc1n3-c1ccc(C(=O)c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc1)c1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RORC P51449 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ SCARB1 Q8WTV0 1/20 0.31
▸ EDNRB P24530 1/20 0.30
▸ EDNRA P25101 1/20 0.30
▸ MCHR2 Q969V1 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
SCHEMBL18568854 0.82 KDM4E (0.40) KDM4EPTPN1ATML3MBTL1HDAC4
SCHEMBL22415195 0.82 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL25956652 0.82 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL20707565 0.82 KDM4E (0.40) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL21388324 0.81 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL19003184 0.81 CHRNA7 (0.36) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL23544455 0.79 ALDH1A1 (0.33) KDM4EALDH1A1ATML3MBTL1LMNA
SCHEMBL19570071 0.79 KDM4E (0.42) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL21155888 0.79 KDM4E (0.42) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL17851102 0.79 KDM4E (0.50) CNR2KDM4EPTPN1ALDH1A1HPGD

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
WO-2020039708-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT 国立大学法人九州大学 2020-02-27 — — WO disclosed
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