SCHEMBL25501998

SCHEMBL25501998

c1ccc2c(c1)oc1cccc(-c3ccc(-c4nc(-c5ccc6ccc7oc8ccccc8c7c6c5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 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

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
SCHEMBL25501241 0.96 TDP1 (0.38) BACE1CASP3SENP7SENP6TDP1
SCHEMBL25501431 0.95 ENPP3 (0.39) BACE1TDP1L3MBTL1ALDH1A1HPGD
SCHEMBL25502916 0.95 PLA2G2A (0.37) BACE1CASP3SENP7SENP6TDP1
SCHEMBL25501906 0.95 ALDH1A1 (0.40) BACE1CASP3SENP7SENP6TDP1
SCHEMBL25501230 0.95 MAPT (0.40) TDP1L3MBTL1ALOX5ALDH1A1HPGD
SCHEMBL25502259 0.94 PLA2G2A (0.38) BACE1CASP3SENP7SENP6TDP1
SCHEMBL25501995 0.94 PLA2G2A (0.39) BACE1CASP3SENP7SENP6TDP1
SCHEMBL25501234 0.94 PLA2G2A (0.39) TDP1L3MBTL1ALOX5ALDH1A1HPGD
SCHEMBL25501911 0.94 MAPT (0.38) BACE1CASP3SENP7SENP6TDP1
SCHEMBL25502000 0.94 ENPP1 (0.39) BACE1CASP3SENP7SENP6TDP1

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-2023096318-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-01 WO disclosed