SCHEMBL29269034

SCHEMBL29269034

C=Cc1cccc(-c2cnc(C(=O)NC3C[C@H](Cn4ccnn4)N(C(=O)OC(C)(C)C)C3)o2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.34
▸ HDAC6 Q9UBN7 7/20 0.34
▸ USP30 Q70CQ3 9/20 0.33
▸ RORC P51449 1/20 0.32
▸ TGM2 P21980 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL29269033 1.00 HDAC1 (0.34) HDAC1HDAC6USP30RORCTGM2
SCHEMBL30474011 1.00 HDAC1 (0.34) HDAC1HDAC6USP30RORCTGM2
SCHEMBL25675710 1.00 HDAC1 (0.34) HDAC1HDAC6USP30RORCTGM2
SCHEMBL29268985 0.90 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL30474034 0.90 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL30474006 0.90 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL29268998 0.90 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL29268997 0.90 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL29268982 0.90 HDAC1 (0.42) HDAC1HDAC6USP30RORCGABRA5
SCHEMBL25675708 0.90 HDAC1 (0.42) 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
CN-118302422-A Substituted N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2024-07-05 — — CN disclosed
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