SCHEMBL25966210

SCHEMBL25966210

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25966218 0.95 HTT (0.36) HTTNPSR1MAPTTSHRMAPK1
SCHEMBL3422132 0.94 HTT (0.34) HTTNPSR1MAPTTSHRMAPK1
SCHEMBL25121683 0.94 MAPT (0.40) HTTNPSR1MAPTTSHRMAPK1
SCHEMBL20199580 0.93 MAPT (0.39) HTTNPSR1MAPTTSHRMAPK1
SCHEMBL25121853 0.92 MAPT (0.39) HTTNPSR1MAPTTSHRMAPK1
SCHEMBL25121703 0.90 MAPT (0.40) HTTNPSR1MAPTTSHRMAPK1
SCHEMBL3421876 0.90 HTT (0.34) HTTNPSR1MAPTTSHRMAPK1
SCHEMBL25966323 0.89 KDM4E (0.31) NPSR1MAPTHPGDKDM4EATM
SCHEMBL2603494 0.89 MEN1 (0.33) MAPTTSHRHPGDKDM4EATM
SCHEMBL2603654 0.89 MEN1 (0.33) MAPTTSHRHPGDKDM4EATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed