SCHEMBL25828357

SCHEMBL25828357

O=c1c2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2ccc3c4ccccc4n(-c4ccccc4)c3c2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HKDC1 Q2TB90 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 2/20 0.36
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 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
SCHEMBL25828637 0.91 KMT2A (0.41) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL24597899 0.91 KMT2A (0.42) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL25828513 0.90 RXFP1 (0.41) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL24487399 0.89 KMT2A (0.42) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL25829019 0.89 KMT2A (0.41) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL24597939 0.89 KMT2A (0.41) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL25828639 0.89 KDM4E (0.40) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL25828786 0.89 KMT2A (0.41) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL126253 0.87 L3MBTL1 (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL30367723 0.87 L3MBTL1 (0.50) KMT2AMEN1NPC1RAB9ALMNA

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