SCHEMBL25613444

SCHEMBL25613444

CC(C)Oc1cc(-c2cnc(NC(=O)NC3COC3)s2)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 4/20 0.43
▸ S1PR1 P21453 6/20 0.41
▸ S1PR5 Q9H228 2/20 0.41
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ USP30 Q70CQ3 4/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ UCHL1 P09936 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
SCHEMBL25613441 0.89 USP30 (0.41) XDHS1PR1S1PR5HSD17B1HSD17B2
SCHEMBL25611109 0.82 USP30 (0.47) XDHS1PR1S1PR5HSD17B1HSD17B2
SCHEMBL25610970 0.82 USP30 (0.45) XDHS1PR1S1PR5USP30HDAC3
SCHEMBL25610969 0.82 USP30 (0.45) XDHS1PR1S1PR5USP30HDAC3
SCHEMBL25611309 0.80 USP30 (0.49) XDHUSP30
SCHEMBL25611033 0.80 USP30 (0.48) XDHS1PR1S1PR5USP30HDAC3
SCHEMBL25421729 0.79 USP30 (0.41) XDHS1PR1S1PR5USP30UCHL1
SCHEMBL25611227 0.79 UCHL1 (0.41) XDHS1PR1S1PR5USP30UCHL1
SCHEMBL25611032 0.79 USP30 (0.43) XDHS1PR1S1PR5HSD17B1HSD17B2
SCHEMBL25611030 0.79 XDH (0.38) XDHS1PR1S1PR5HSD17B1HSD17B2

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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