SCHEMBL19746834

SCHEMBL19746834

O=C(NCCCC(=O)N1CCC1)c1cc(-c2ccccc2)no1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.50
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NAAA Q02083 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL17653036 0.97 HDAC1 (0.50) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL17661474 0.95 HDAC3 (0.50) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL17661480 0.94 HDAC3 (0.49) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL17653039 0.93 USP30 (0.52) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL17661475 0.91 USP30 (0.52) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL17661481 0.90 USP30 (0.51) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL17661233 0.88 HDAC1 (0.52) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL17652983 0.86 RAB9A (0.54) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL17661479 0.84 USP30 (0.49) USP30HDAC3HDAC1ALDH1A1MEN1
SCHEMBL19747788 0.84 MEN1 (0.53) USP30HDAC3HDAC1ALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472156-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2023-06-07 EP disclosed
EP-3472156-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2019-04-24 EP disclosed
WO-2017223188-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-12-28 WO disclosed