SCHEMBL30908480

SCHEMBL30908480

CC(C)(C)OC(=O)Nc1ccc2ccc(CBr)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
CYP17A1 P05093 1/20 0.41
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
AKT1 P31749 1/20 0.39
MAPK14 Q16539 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
LCK P06239 2/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
GRM2 Q14416 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NAMPT P43490 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL30908383 0.88 LCK (0.43) SCN9ACYP17A1GSK3BDYRK1AMAPK14
SCHEMBL30908382 0.88 LCK (0.43) SCN9ACYP17A1GSK3BDYRK1AMAPK14
SCHEMBL30908492 0.84 TOP2A (0.41) SCN9ACYP17A1GSK3BDYRK1AMAPK14
SCHEMBL30908325 0.81 NPC1 (0.45) SCN9AGSK3BDYRK1ALCKMAPT
SCHEMBL16930398 0.81 NPC1 (0.44) SCN9AMTNR1AMTNR1BMAPTNPC1
SCHEMBL9382249 0.80 SCN9A (0.41) SCN9ACYP17A1AKT1TOP2ATOP2B
SCHEMBL540467 0.79 NAMPT (0.49) SCN9ACYP17A1GSK3BDYRK1AAKT1
SCHEMBL167992 0.77 IGF1R (0.47) SCN9ACYP17A1GSK3BDYRK1AAKT1
SCHEMBL30908271 0.77 PTPN1 (0.36) SCN9AAKT1TOP2ATOP2BNPC1
SCHEMBL12567166 0.76 SORT1 (0.43) GSK3BDYRK1ALCKHDAC1NPC1

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