SCHEMBL16453094

SCHEMBL16453094

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7sc(-c8ccccc8)nc7cc5n6-c5ccccc5)ccc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.38
▸ KDM4E B2RXH2 8/20 0.38
▸ NFKB1 P19838 4/20 0.38
▸ NFKB2 Q00653 4/20 0.38
▸ RELA Q04206 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GLA P06280 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABCG2 Q9UNQ0 4/20 0.35
▸ APP P05067 2/20 0.35
▸ NPC1 O15118 5/20 0.34

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
SCHEMBL16453023 0.96 KDM4E (0.39) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL16453012 0.96 KDM4E (0.41) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL16453020 0.95 KDM4E (0.40) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL17282435 0.94 KDM4E (0.42) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL16453072 0.92 KDM4E (0.38) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL15431004 0.92 KDM4E (0.44) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453031 0.91 KDM4E (0.36) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL16453098 0.91 PTGER4 (0.35) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL29311358 0.90 KDM4E (0.40) PTGER4KDM4ENFKB1NFKB2RELA
SCHEMBL29311300 0.90 KDM4E (0.44) PTGER4KDM4ENFKB1NFKB2RELA

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-2015020399-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT LIGHT EMITTING DIODE COMPRISING SAME 주식회사 두산 (KR) 2015-02-12 — — WO disclosed
Send feedback