SCHEMBL25828519

SCHEMBL25828519

O=c1c2c(ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c32)c2ccc3c(c4ccccc4n3-c3ccccc3)c2n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
BRCA1 P38398 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.36
FAAH O00519 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MGLL Q99685 1/20 0.36
PDE10A Q9Y233 1/20 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
SCHEMBL25828521 1.00 ATM (0.42) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL25828178 0.93 KMT2A (0.43) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL25828180 0.93 KMT2A (0.43) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL18593814 0.92 L3MBTL1 (0.50) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL17248270 0.92 L3MBTL1 (0.50) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL23225753 0.90 L3MBTL1 (0.49) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL30022178 0.90 L3MBTL1 (0.49) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL24230695 0.90 L3MBTL1 (0.49) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL19769600 0.90 L3MBTL1 (0.49) ATMKDM4EL3MBTL1KMT2AMEN1
SCHEMBL24230773 0.90 L3MBTL1 (0.49) ATMKDM4EL3MBTL1KMT2AMEN1

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-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 WO disclosed