SCHEMBL24152000

SCHEMBL24152000

c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.38
PAX8 Q06710 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
FYN P06241 1/20 0.38
MAPK3 P27361 1/20 0.38
AHR P35869 1/20 0.38
CHEK2 O96017 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TDP1 Q9NUW8 3/20 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
SCHEMBL14979527 0.96 ABCG2 (0.38) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL22893857 0.94 ABCG2 (0.39) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL24152177 0.94 ABCG2 (0.40) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL24152669 0.94 ABCG2 (0.37) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL24153869 0.93 TDP1 (0.36) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL16452062 0.93 CHEK2 (0.39) AHRCHEK2KDM4EHPGDMAPT
SCHEMBL24154396 0.92 SIRT2 (0.39) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL24152096 0.91 SIRT2 (0.38) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL24151781 0.90 SIRT2 (0.38) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL25603476 0.90 CHEK2 (0.35) ABCG2PAX8CYP1A2AHRCHEK2

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 3 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
WO-2021261977-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed