SCHEMBL24521284

SCHEMBL24521284

C1=CC(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc6c(c7ccccc57)Cc5ccc(-c7cccc8ccccc78)cc5-6)c4)c3)n2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL24521286 0.83
SCHEMBL24521273 0.76 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL24521232 0.75 TDP2 (0.40) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL24521276 0.74
SCHEMBL27426999 0.73 ALDH1A1 (0.39) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL17467371 0.73 ADORA2A (0.38) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL17467369 0.73 ADORA2A (0.38) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL17467363 0.73 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL24521179 0.72 MEN1 (0.34) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL22908184 0.72 ALDH1A1 (0.51) KDM4EALDH1A1TP53MAPTHPGD

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
EP-4015515-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-06-22 EP disclosed