SCHEMBL3645705

SCHEMBL3645705

CC(=O)OC1(NC(=O)c2ccccc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CASP3 P42574 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
PPP1CA P62136 1/20 0.44
RIN1 Q13671 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL5585773 0.95 CTSK (0.48) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL5586066 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL27797797 0.81 CTSL (0.42) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL27848880 0.78 HSD17B10 (0.59) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL11609600 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL1186231 0.76 CTSL (0.57) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL10604536 0.75 CTSL (0.49) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL9009913 0.75 RAB9A (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL27797914 0.74 CTSL (0.46) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL11608129 0.73 HSD17B10 (0.59) ALDH1A1KDM4EMEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed
CN-102344457-B Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN SEIYAKU KK 2015-07-22 CN disclosed
CN-102344457-A Spirocyclic aminoquinolones as gsk-3 inhibitors KYORIN SEIYAKU KK 2012-02-08 CN disclosed
CN-101855229-A Spirocyclic aminoquinolones as GSK-3 inhibitors ACTIVX BIOSCIENCES INC 2010-10-06 CN disclosed
EP-2203459-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2010-07-07 EP disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 WO disclosed