SCHEMBL24154016

SCHEMBL24154016

c1ccc(-c2nc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c4ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 3/20 0.32
AHR P35869 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL24361589 0.96 TDP1 (0.34) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL24361536 0.93 TDP1 (0.35) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL22211931 0.92 TDP1 (0.33) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL24361559 0.91 MAPT (0.37) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL24361710 0.89 MAPT (0.36) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL25604213 0.89 TSHR (0.33) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL24151615 0.89 MAPT (0.33) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL24151760 0.89 MAPT (0.39) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL18019464 0.89 MAPT (0.42) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL24361560 0.88 MAPT (0.36) TSHRTDP1L3MBTL1KDM4EALDH1A1

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
WO-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021261962-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed