SCHEMBL30908442

SCHEMBL30908442

CC(=O)N(Cc1ccc2ccc(NC(=O)OC(C)(C)C)nc2c1)c1ccccc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.37
RPS6KB1 P23443 3/20 0.37
PDE10A Q9Y233 1/20 0.34
GRM2 Q14416 2/20 0.34
SCN9A Q15858 1/20 0.34
HDAC1 Q13547 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
AKT1 P31749 2/20 0.32
CYP17A1 P05093 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
MTTP P55157 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
SCHEMBL30908271 0.93 PTPN1 (0.36) SCN9ATOP2ATOP2BNPC1RAB9A
SCHEMBL30908483 0.91 TSPO (0.39) SCN9AHDAC1TOP2ATOP2BNPC1
SCHEMBL30908503 0.86 NPC1 (0.35) SCN9AHDAC1TOP2ATOP2BNPC1
SCHEMBL30908391 0.86 TOP2A (0.35) GRM2SCN9AHDAC1TOP2ATOP2B
SCHEMBL30908405 0.84 HDAC1 (0.35) GRM2SCN9AHDAC1TOP2ATOP2B
SCHEMBL30908418 0.82 SCN9A (0.41) SCN9ATOP2ATOP2BAKT1ALDH1A1
SCHEMBL30908423 0.82 SCN9A (0.41) SCN9ATOP2ATOP2BAKT1ALDH1A1
SCHEMBL30908221 0.82 IRAK4 (0.42) GRM2SCN9A
SCHEMBL30908158 0.82 METAP1 (0.39) SCN9AHDAC1TOP2ATOP2BAKT1
SCHEMBL30908640 0.79 NOS1 (0.42) ALDH1A1

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