SCHEMBL25828515

SCHEMBL25828515

O=c1c2c(ccc3c4ccccc4n(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c32)c2ccc3c4ccccc4n(-c4ccccc4)c3c2n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.39
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HKDC1 Q2TB90 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
BRCA1 P38398 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTSR1 P30989 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
SCHEMBL25828513 0.92 RXFP1 (0.41) RXFP1KMT2AMEN1GAALMNA
SCHEMBL9883258 0.90 KDM4E (0.44) KMT2AMEN1GAALMNAALDH1A1
SCHEMBL16869968 0.87 KMT2A (0.37) RXFP1KMT2AMEN1GAALMNA
SCHEMBL23370559 0.87 KMT2A (0.43) RXFP1KMT2AMEN1GAALMNA
SCHEMBL25828180 0.86 KMT2A (0.43) RXFP1KMT2AMEN1GAAALDH1A1
SCHEMBL25828178 0.86 KMT2A (0.43) RXFP1KMT2AMEN1GAAALDH1A1
SCHEMBL12175655 0.86 KDM4E (0.45) RXFP1KMT2AMEN1GAALMNA
SCHEMBL9883197 0.86 KDM4E (0.41) RXFP1KMT2AMEN1GAALMNA
SCHEMBL9883206 0.86 KDM4E (0.41) RXFP1KMT2AMEN1GAALMNA
SCHEMBL19036993 0.85 MEN1 (0.41) KMT2AMEN1GAALMNAALDH1A1

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