SCHEMBL25675708

SCHEMBL25675708

CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(-c3cccc(Br)c3)o2)C[C@H]1Cn1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.42
▸ HDAC6 Q9UBN7 6/20 0.42
▸ USP30 Q70CQ3 7/20 0.42
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ SRC P12931 3/20 0.32

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
SCHEMBL29268998 1.00 HDAC1 (0.42) HDAC1HDAC6USP30MEN1KMT2A
SCHEMBL30474006 1.00 HDAC1 (0.42) HDAC1HDAC6USP30MEN1KMT2A
SCHEMBL29268997 1.00 HDAC1 (0.42) HDAC1HDAC6USP30MEN1KMT2A
SCHEMBL29268985 0.92 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL30474034 0.92 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL29268982 0.92 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL25675712 0.91 FAAH (0.34) HDAC1HDAC6USP30RORC
SCHEMBL30474019 0.91 FAAH (0.34) HDAC1HDAC6USP30RORC
SCHEMBL24073258 0.90 HDAC1 (0.44) HDAC1HDAC6USP30RORC
SCHEMBL30473982 0.90 PIK3CD (0.36) HDAC1HDAC6USP30RORCGABRA5

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-2023099561-A1 SUBSTITUTED N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2023-06-08 — — WO disclosed
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