SCHEMBL25611309

SCHEMBL25611309

CC(C)Oc1cc(-c2cnc(NC(=O)[C@H]3CCCO3)s2)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.49
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ EGLN2 Q96KS0 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ XDH P47989 1/20 0.41

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
SCHEMBL25611033 0.97 USP30 (0.48) USP30NPC1RAB9ASMN1; SMN2TP53
SCHEMBL25611109 0.90 USP30 (0.47) USP30EGLN2XDH
SCHEMBL25610836 0.88 ALDH1A1 (0.48) USP30NPC1RAB9ASMN1; SMN2TP53
SCHEMBL25610969 0.87 USP30 (0.45) USP30EGLN2XDH
SCHEMBL25610970 0.87 USP30 (0.45) USP30EGLN2XDH
SCHEMBL25611032 0.86 USP30 (0.43) USP30XDH
SCHEMBL25611227 0.82 UCHL1 (0.41) USP30XDH
SCHEMBL25605336 0.82 MKNK1 (0.59) USP30XDH
SCHEMBL25611030 0.82 XDH (0.38) USP30XDH
SCHEMBL25613444 0.80 XDH (0.43) USP30XDH

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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