SCHEMBL23027593

SCHEMBL23027593

c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc6ccccc56)cc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL25817707 0.92 PIM3 (0.40) PIM3HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL23027552 0.92 PIM3 (0.41) PIM3KDM4EALDH1A1MAPTHPGD
SCHEMBL23027543 0.92 PIM3 (0.41) PIM3KDM4EALDH1A1MAPTHPGD
SCHEMBL23027550 0.91 PIM3 (0.40) PIM3KDM4EALDH1A1MAPTHPGD
SCHEMBL23027600 0.91 PIM3 (0.42) PIM3KDM4EALDH1A1MAPTHPGD
SCHEMBL23027532 0.91 PIM3 (0.42) PIM3KDM4EALDH1A1MAPTHPGD
SCHEMBL23027557 0.91 PIM3 (0.42) PIM3KDM4EALDH1A1MAPTHPGD
SCHEMBL23027563 0.90 PIM3 (0.40) PIM3ALDH1A1MAPTHPGDMEN1
SCHEMBL25817779 0.89 HSD17B1 (0.40) PIM3HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL23027629 0.89 PIM3 (0.39) PIM3CA12CA1CA2CA9

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-2021033731-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed