SCHEMBL25830673

SCHEMBL25830673

O=c1c2ccc3c4ccccc4n(-c4ccccc4)c3c2c2c(ccc3c4ccccc4n(-c4ccccc4)c32)n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
BRCA1 P38398 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
PDE10A Q9Y233 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PGR P06401 3/20 0.38

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
SCHEMBL25830671 0.90 KDM4E (0.50) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL25830675 0.88 MAPK1 (0.44) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL18593814 0.86 L3MBTL1 (0.50) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL17248270 0.86 L3MBTL1 (0.50) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL25828521 0.86 ATM (0.42) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL25828519 0.86 ATM (0.42) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL25830681 0.85 KMT2A (0.49) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL25828178 0.85 KMT2A (0.43) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL25828180 0.85 KMT2A (0.43) KMT2AALDH1A1MEN1HSD17B10POLB
SCHEMBL24230773 0.85 L3MBTL1 (0.49) KMT2AALDH1A1MEN1HSD17B10POLB

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