SCHEMBL24972754

SCHEMBL24972754

C1=CC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc4oc5ccccc5c34)n2)=CCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL24315496 0.99 KDM4E (0.31) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL25829268 0.95 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL26307223 0.94 KDM4E (0.32) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL26037500 0.94 KDM4E (0.31) KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL25651520 0.93 KDM4E (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL25651689 0.93 TSHR (0.32) KDM4EMEN1KMT2AHSD17B10
SCHEMBL26893984 0.93 CHEK2 (0.31)
SCHEMBL23312762 0.91 KDM4E (0.32) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL25830758 0.90 TSHR (0.31) MEN1KMT2A
SCHEMBL24314584 0.90 KDM4E (0.31) KDM4EMEN1ALDH1A1TP53CYP1A2

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-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed