SCHEMBL25829012

SCHEMBL25829012

O=c1c2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2cc3c(cc2n1-c1ccccc1)c1ccccc1n3-c1cccc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
BRCA1 P38398 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 2/20 0.37
FAAH O00519 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MAPK8 P45983 2/20 0.35
CYP1A2 P05177 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
SCHEMBL25828178 0.91 KMT2A (0.43) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25828180 0.91 KMT2A (0.43) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25829010 0.91 KDM4E (0.51) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25828519 0.89 ATM (0.42) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25828521 0.89 ATM (0.42) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25828789 0.87 KDM4E (0.50) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25828902 0.87 RXFP1 (0.39) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL12456478 0.86 L3MBTL1 (0.51) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL10027633 0.86 L3MBTL1 (0.55) KMT2AATMKDM4EL3MBTL1MEN1
SCHEMBL25828897 0.86 KMT2A (0.43) KMT2AATMKDM4EL3MBTL1MEN1

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