SCHEMBL22868872

SCHEMBL22868872

c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccc5c(c34)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 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
SCHEMBL22868810 0.94 KDM4E (0.37) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22868580 0.91 MAPT (0.36) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22868794 0.91 PIM1 (0.35) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL20127195 0.91 MAPT (0.39) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22868962 0.90 MAPT (0.35) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22766738 0.90 MAPT (0.43) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22868812 0.90 TSHR (0.34) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL25668651 0.89 MAPT (0.42) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22868871 0.88 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22059098 0.88 KDM4E (0.41) MAPTSMN1; SMN2KDM4EALDH1A1HPGD

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