SCHEMBL25822852

SCHEMBL25822852

c1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 4/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CASP1 P29466 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 5/20 0.39
ATM Q13315 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL25595954 0.97 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL17692170 0.94 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25596314 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25596075 0.92 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25595874 0.92 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25595761 0.92 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25602957 0.92 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL19271437 0.92 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25118737 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL17754441 0.91 ESR1 (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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-2023125801-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT 东丽先端材料研究开发(中国)有限公司 2023-07-06 WO disclosed