SCHEMBL25465280

SCHEMBL25465280

c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cncc4oc5c6ccccc6ccc5c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNF P01375 1/20 0.39
PRKCZ Q05513 1/20 0.39
CYP1A2 P05177 6/20 0.36
CYP1A1 P04798 5/20 0.36
CYP1B1 Q16678 5/20 0.36

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
SCHEMBL25465079 0.95 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25465091 0.93 CYP1A1 (0.37) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25465220 0.93 CYP1A1 (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25508595 0.91 MAPT (0.37) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25465705 0.90 MAPT (0.36) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23987425 0.90 MAPT (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25505104 0.89 MAPT (0.37) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25508723 0.89 CYP1A1 (0.35) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25465269 0.88 CYP1A1 (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25465537 0.88 CYP1A1 (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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
WO-2023085834-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed