SCHEMBL30908405

SCHEMBL30908405

CC(=O)N(Cc1ccc2ccc(N)nc2c1)c1ccccc1CO.CC(=O)N(Cc1ccc2ccc(NC(=O)OC(C)(C)C)nc2c1)c1ccccc1CO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
NOS1 P29475 13/20 0.35
NOS2 P35228 3/20 0.35
PLAU P00749 1/20 0.35
NOS3 P29474 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
GRM2 Q14416 2/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL30908391 0.95 TOP2A (0.35) HDAC1TOP2ATOP2BGRM2SCN9A
SCHEMBL30908422 0.86 PLAU (0.42) NOS1NOS2PLAU
SCHEMBL30908503 0.84 NPC1 (0.35) HDAC1TOP2ATOP2BSCN9A
SCHEMBL30908442 0.84 AURKA (0.37) HDAC1TOP2ATOP2BGRM2SCN9A
SCHEMBL30908271 0.83 PTPN1 (0.36) TOP2ATOP2BSCN9A
SCHEMBL30908572 0.82 SCN9A (0.35) NOS1NOS2PLAUSCN9A
SCHEMBL30908483 0.82 TSPO (0.39) HDAC1TOP2ATOP2BSCN9A
SCHEMBL30908418 0.81 SCN9A (0.41) TOP2ATOP2BSCN9A
SCHEMBL30908423 0.81 SCN9A (0.41) TOP2ATOP2BSCN9A
SCHEMBL30908596 0.79 GSK3B (0.39) SCN9A

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed