SCHEMBL25613436

SCHEMBL25613436

CC(C)Oc1cc(-c2cnc(NC(=O)c3cccc(=O)n3C)s2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ XDH P47989 3/20 0.40
▸ S1PR1 P21453 3/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ CSNK2A2 P19784 2/20 0.39
▸ CSNK2A1 P68400 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ OTUD7B Q6GQQ9 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ SCD O00767 1/20 0.37

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
SCHEMBL25418143 0.83 XDH (0.42) PDE10AXDHS1PR1S1PR5CSNK2A2
SCHEMBL25613352 0.83 FGFR4 (0.41) PDE10AUSP30XDHS1PR1S1PR5
SCHEMBL25605965 0.83 XDH (0.42) PDE10AXDHS1PR1S1PR5CSNK2A2
SCHEMBL25421541 0.80 XDH (0.41) PDE10AXDHS1PR1S1PR5CSNK2A2
SCHEMBL25612826 0.78 XDH (0.43) XDHS1PR1S1PR5CSNK2A2CSNK2A1
SCHEMBL25605336 0.77 MKNK1 (0.59) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25613441 0.77 USP30 (0.41) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25421729 0.74 USP30 (0.41) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25611032 0.74 USP30 (0.43) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25613444 0.74 XDH (0.43) USP30XDHS1PR1S1PR5UCHL1

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-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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