SCHEMBL25828790

SCHEMBL25828790

O=c1c2c(ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c32)c2cc3c4ccccc4n(-c4ccccc4)c3cc2n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 4/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
BRCA1 P38398 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 4/20 0.38
PTGER4 P35408 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 3/20 0.34
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34

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
SCHEMBL25828789 0.88 KDM4E (0.50) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL25829632 0.87 ALDH1A1 (0.43) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL17245429 0.86 KDM4E (0.51) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL25828272 0.86 ALDH1A1 (0.42) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL27427526 0.85 KDM4E (0.50) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL27427687 0.84 KDM4E (0.49) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL25829010 0.84 KDM4E (0.51) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL17990281 0.84 KDM4E (0.41) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL19342721 0.83 L3MBTL1 (0.43) ALDH1A1KMT2APOLBMEN1HSD17B10
SCHEMBL24991292 0.83 KDM4E (0.43) ALDH1A1KMT2APOLBMEN1HSD17B10

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