SCHEMBL30104100

SCHEMBL30104100

Brc1cc(-c2ccccc2)c2c(c1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)-c1cccc3cccc-2c13

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 5/20 0.36
TP53 P04637 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 4/20 0.35
HSD17B10 Q99714 4/20 0.35

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
SCHEMBL24191541 1.00 ALDH1A1 (0.38) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL30104089 0.91 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4ENR1H2
SCHEMBL24067755 0.91 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4ENR1H2
SCHEMBL16658500 0.88 ALDH1A1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL30104107 0.84 HDAC4 (0.41) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL24191185 0.84 HDAC4 (0.41) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16658485 0.83 ALDH1A1 (0.37) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL16658496 0.83 ALDH1A1 (0.37) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL17014582 0.82 MEN1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL16658477 0.82 MEN1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461329-B Compound and organic light-emitting element comprising same 株式会社LG化学 2024-07-23 CN disclosed
CN-115461329-A Compound and organic light-emitting element comprising same 株式会社LG化学 2022-12-09 CN disclosed