SCHEMBL30908459

SCHEMBL30908459

CC(C)(CO)c1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
RAB9A P51151 6/20 0.34
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 3/20 0.33
TSHR P16473 1/20 0.33
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
FDPS P14324 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
SCHEMBL1817853 1.00 GBA1 (0.39) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15240230 0.83 ADRA2A (0.38) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL1820710 0.78 GBA1 (0.37) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15001189 0.78 PDE10A (0.43) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL152558 0.78 PDE10A (0.43) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15001191 0.78 PDE10A (0.43) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL29926723 0.77 GBA1 (0.41) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL681100 0.77 GBA1 (0.41) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15651900 0.77 KDM4E (0.37) KDM4EADRA2AADRA2BADRA2CRAB9A
SCHEMBL3396791 0.77 ALDH1A1 (0.37) GBA1ALDH1A1KDM4EADRA2AADRA2B

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