SCHEMBL24972794

SCHEMBL24972794

C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)CC=C1c1ccc2ccccc2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL24907606 0.96 PLA2G2A (0.32)
SCHEMBL24658032 0.96 ALDH1A1 (0.31) ALDH1A1KDM4EMEN1TP53CYP1A2
SCHEMBL26893675 0.95 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL24971720 0.95 MAPK1 (0.31) ALDH1A1KDM4ETP53KMT2ASMN1; SMN2
SCHEMBL24357034 0.94 PRKDC (0.31) ALDH1A1KDM4EMEN1TP53CYP1A2
SCHEMBL24315410 0.93 HCRTR1 (0.31)
SCHEMBL25653062 0.92 TSHR (0.31) ALDH1A1KDM4EMEN1TP53KMT2A
SCHEMBL26899622 0.91
SCHEMBL25850825 0.90
SCHEMBL26373151 0.90 PRKDC (0.35) ALDH1A1KDM4EMEN1TP53CYP1A2

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