SCHEMBL25828273

SCHEMBL25828273

O=c1c2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2ccc3c4ccccc4n(-c4ccccc4)c3c2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
BRCA1 P38398 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
MAPK1 P28482 1/20 0.37
HDAC4 P56524 1/20 0.37
PGR P06401 3/20 0.37
HKDC1 Q2TB90 1/20 0.36
MAOB P27338 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 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
SCHEMBL25828264 0.96 KDM4E (0.46) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL25828261 0.96 KDM4E (0.46) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL25828178 0.90 KMT2A (0.43) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL25828180 0.90 KMT2A (0.43) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL25828177 0.89 KDM4E (0.53) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL17019422 0.88 L3MBTL1 (0.55) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL25828271 0.87 L3MBTL1 (0.45) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL25828269 0.87 L3MBTL1 (0.45) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL19342684 0.86 L3MBTL1 (0.53) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL10206008 0.86 L3MBTL1 (0.57) KMT2AALDH1A1MEN1POLBTSHR

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