SCHEMBL25613441

SCHEMBL25613441

CC(C)Oc1cc(-c2cnc(NC(=O)NC3CN(C)C3)s2)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.41
▸ XDH P47989 4/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ UCHL1 P09936 2/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL25613444 0.89 XDH (0.43) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25605336 0.83 MKNK1 (0.59) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25421729 0.80 USP30 (0.41) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25613352 0.78 FGFR4 (0.41) USP30XDHS1PR1S1PR5
SCHEMBL25611309 0.78 USP30 (0.49) USP30XDH
SCHEMBL25611033 0.77 USP30 (0.48) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25613436 0.77 PDE10A (0.42) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25418143 0.77 XDH (0.42) XDHS1PR1S1PR5
SCHEMBL25605965 0.77 XDH (0.42) XDHS1PR1S1PR5
SCHEMBL25611032 0.77 USP30 (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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