SCHEMBL22868877

SCHEMBL22868877

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6c(ccc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ TSHR P16473 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NR1I3 Q14994 3/20 0.33

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
SCHEMBL22868697 0.99 MEN1 (0.35) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22868844 0.95 MAPT (0.34) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22868699 0.94 PDK2 (0.36) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22868798 0.93 PDK2 (0.34) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22868875 0.92 MEN1 (0.37) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22868599 0.91 MEN1 (0.36) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22869065 0.91 MEN1 (0.35) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22868947 0.91 MEN1 (0.38) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22869076 0.88 MEN1 (0.36) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22868839 0.88 KDM4E (0.36) MEN1KMT2AMAPTKDM4ELMNA

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-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 — — US disclosed
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