SCHEMBL30701794

SCHEMBL30701794

c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 7/20 0.37
PPARA Q07869 7/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PPARD Q03181 1/20 0.36
HDAC4 P56524 1/20 0.36
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL17702891 1.00 KDM4E (0.46) KDM4EATML3MBTL1CA12CA1
SCHEMBL13620199 0.99 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL15138397 0.99 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL21971880 0.97 KDM4E (0.44) KDM4EATML3MBTL1CA12CA1
SCHEMBL21970847 0.97 KDM4E (0.44) KDM4EATML3MBTL1CA12CA1
SCHEMBL21972457 0.96 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL21970892 0.96 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL13620186 0.96 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL21970833 0.96 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL21971312 0.96 KDM4E (0.45) 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
CN-116889122-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2023-10-13 CN disclosed