SCHEMBL30908158

SCHEMBL30908158

CC(=O)N(Cc1ccc2ccc(NC(=O)OC(C)(C)C)nc2c1)c1cccnc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
SCN9A Q15858 1/20 0.33
CYP17A1 P05093 2/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP2C9 P11712 1/20 0.31
PTGER1 P34995 1/20 0.31
GRIN2B Q13224 1/20 0.31
HDAC1 Q13547 1/20 0.31
NAMPT P43490 1/20 0.31
AKT1 P31749 2/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL30908222 0.92 METAP1 (0.38) METAP1SCN9ACYP17A1TOP2ATOP2B
SCHEMBL30908271 0.87 PTPN1 (0.36) SCN9ATOP2ATOP2BAKT1
SCHEMBL30908217 0.83 GSK3B (0.37) SCN9ACYP17A1TOP2ATOP2BGSK3B
SCHEMBL30908391 0.83 TOP2A (0.35) SCN9ACYP17A1TOP2ATOP2BGSK3B
SCHEMBL30908442 0.82 AURKA (0.37) SCN9ACYP17A1TOP2ATOP2BHDAC1
SCHEMBL30908483 0.82 TSPO (0.39) SCN9ATOP2ATOP2BHDAC1AKT1
SCHEMBL30908503 0.81 NPC1 (0.35) SCN9ATOP2ATOP2BCYP2C9PTGER1
SCHEMBL30908418 0.81 SCN9A (0.41) SCN9ATOP2ATOP2BAKT1
SCHEMBL30908423 0.81 SCN9A (0.41) SCN9ATOP2ATOP2BAKT1
SCHEMBL30908240 0.79 GSK3B (0.37) SCN9ACYP17A1GSK3BDYRK1AMAPK14

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