SCHEMBL25850681

SCHEMBL25850681

c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)nc(-c3cc4oc5ccccc5c4c4ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 5/20 0.38
TSHR P16473 4/20 0.38
ATM Q13315 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL25508090 0.96 BACE1 (0.39) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL25850885 0.95 MAPT (0.38) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL25850562 0.94 MAPT (0.39) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL25851211 0.93 BACE1 (0.35) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL25850494 0.92 ENPP1 (0.39) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL25850962 0.92 MAPT (0.36) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL23821724 0.92 BACE1 (0.41) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL21563824 0.92 BACE1 (0.41) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL15501357 0.92 MAPT (0.43) BACE1MAPTALDH1A1KDM4EHPGD
SCHEMBL19802293 0.92 MAPT (0.43) BACE1MAPTALDH1A1KDM4EHPGD

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed