SCHEMBL21131863

SCHEMBL21131863

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7ncccn7)cc6)cccc45)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.47
ADRB2 P07550 1/20 0.44
PLG P00747 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ATM Q13315 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL21131920 0.91 MEN1 (0.42) TNFADRB2L3MBTL1ALDH1A1MAPT
SCHEMBL8053087 0.90 L3MBTL1 (0.52) TNFPLGL3MBTL1ALDH1A1MAPT
SCHEMBL27456218 0.90 L3MBTL1 (0.52) TNFPLGL3MBTL1ALDH1A1MAPT
SCHEMBL21131826 0.89 L3MBTL1 (0.44) TNFL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL18108220 0.89 TNF (0.56) TNFPLGL3MBTL1ALDH1A1MAPT
SCHEMBL16158728 0.86 L3MBTL1 (0.48) TNFPLGL3MBTL1ALDH1A1MAPT
SCHEMBL17829291 0.86 KDM4E (0.48) TNFL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL17944843 0.86 CA12 (0.55) TNFMAPTMEN1KMT2AATM
SCHEMBL19009548 0.86 MAPT (0.50) TNFADRB2L3MBTL1ALDH1A1MAPT
SCHEMBL19009569 0.86 L3MBTL1 (0.56) ADRB2L3MBTL1ALDH1A1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed