SCHEMBL24314783

SCHEMBL24314783

C1=CC(c2nc(-c3ccc4ccc(-c5ccccc5)cc4c3)nc(-c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)n2)=CCC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL24972110 0.99 ALDH1A1 (0.32) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL26341695 0.98 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL24972691 0.94 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL24973568 0.94 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL24972232 0.93 ALDH1A1 (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL24314788 0.93 PGR (0.30)
SCHEMBL26298214 0.93 HCRTR1 (0.34)
SCHEMBL24886603 0.93 KDM4E (0.32) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL25664143 0.92 PLA2G2A (0.32)
SCHEMBL24656708 0.92 ALDH1A1 (0.32) 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
EP-3972001-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2022-03-23 EP disclosed