SCHEMBL22083665

SCHEMBL22083665

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc[nH]c2-c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 11/20 0.64
▸ PARP1 P09874 2/20 0.52
▸ POLB P06746 2/20 0.49
▸ BTK Q06187 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ GABRA5 P31644 1/20 0.46

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
SCHEMBL22083658 0.94 USP30 (0.56) USP30PARP1POLBHDAC4LMNA
SCHEMBL22082709 0.84 USP30 (0.57) USP30PARP1HDAC4HDAC6GABRA5
SCHEMBL22131008 0.83 USP30 (0.77) USP30PARP1HDAC4HDAC6MEN1
SCHEMBL18116012 0.82 USP30 (0.74) USP30HDAC4HDAC6MEN1KMT2A
SCHEMBL994594 0.81 USP30 (0.71) USP30PARP1BTKHDAC4HDAC6
SCHEMBL4921150 0.81 USP30 (0.71) USP30PARP1BTKHDAC4HDAC6
SCHEMBL4924196 0.81 USP30 (0.71) USP30PARP1BTKHDAC4HDAC6
SCHEMBL22083473 0.81 HDAC1 (0.46) USP30HDAC4HDAC6GABRA5
SCHEMBL22083472 0.80 USP30 (0.54) USP30PARP1POLBLMNAMEN1
SCHEMBL23019697 0.78 USP30 (1.00) USP30PARP1POLBHDAC4HDAC6

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-2020117075-A1 ARYLSULFONAMIDES OF 2-ARYLPYRROLE-3-CARBOXAMIDES FOR THE TREATMENT OF CNS DISORDERS JAGIELLONIAN UNIVERSITY (PL) 2020-06-11 — — WO disclosed
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