SCHEMBL25828897

SCHEMBL25828897

O=c1c2cc3c(cc2c2ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c2n1-c1ccccc1)c1ccccc1n3-c1cccc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 5/20 0.37
PGR P06401 3/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 1/20 0.37
FAAH O00519 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.37
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL25828895 0.91 KDM4E (0.51) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25829015 0.91 KDM4E (0.51) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25837691 0.91 KMT2A (0.40) KMT2AATMKDM4EL3MBTL1PDE10A
SCHEMBL25837579 0.90 KMT2A (0.50) KMT2AATMKDM4EL3MBTL1PDE10A
SCHEMBL25829200 0.90 KMT2A (0.50) KMT2AATMKDM4EL3MBTL1PDE10A
SCHEMBL25829302 0.90 KMT2A (0.50) KMT2AATMKDM4EL3MBTL1PDE10A
SCHEMBL25829197 0.90 KMT2A (0.50) KMT2AATMKDM4EL3MBTL1PDE10A
SCHEMBL25828903 0.89 L3MBTL1 (0.46) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25837996 0.89 KDM4E (0.46) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL12456478 0.89 L3MBTL1 (0.51) KMT2AATMKDM4EL3MBTL1PDE10A

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