SCHEMBL25828902

SCHEMBL25828902

O=c1c2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2cc3c4ccccc4n(-c4ccccc4)c3cc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL25828513 0.91 RXFP1 (0.41) RXFP1KMT2AMEN1GAAKDM4E
SCHEMBL22478903 0.88 KMT2A (0.44) RXFP1KMT2AMEN1GAAKDM4E
SCHEMBL24597932 0.88 RXFP1 (0.39) RXFP1KMT2AMEN1GAAKDM4E
SCHEMBL25829012 0.87 KMT2A (0.43) RXFP1KMT2AMEN1GAAKDM4E
SCHEMBL25828789 0.87 KDM4E (0.50) KMT2AMEN1KDM4EATML3MBTL1
SCHEMBL22478886 0.86 KMT2A (0.41) RXFP1KMT2AMEN1GAAKDM4E
SCHEMBL24597953 0.86 KMT2A (0.41) RXFP1KMT2AMEN1KDM4EATM
SCHEMBL25837693 0.86 KMT2A (0.45) RXFP1KMT2AMEN1GAAKDM4E
SCHEMBL9889049 0.85 L3MBTL1 (0.51) RXFP1KMT2AMEN1GAAKDM4E
SCHEMBL25966422 0.85 L3MBTL1 (0.51) RXFP1KMT2AMEN1GAAKDM4E

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