SCHEMBL15549463

SCHEMBL15549463

CC(C)(C)OC(=O)NCCC#CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CTSS P25774 6/20 0.40
CTSK P43235 6/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36

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
SCHEMBL13306409 0.86 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1304101 0.82 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3966213 0.81 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL16180261 0.79 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL14309043 0.79 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL19429638 0.79 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3348304 0.78 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30021709 0.78 MEN1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22018294 0.78 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4540061 0.78 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877458-A1 CYSTATHIONINE-Y-GAMMA-LYASE (CSE) INHIBITORS Sova Pharmaceuticals, Inc. (US) 2015-06-03 EP disclosed
EP-2877175-A2 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS Sova Pharmaceuticals, Inc. (US) 2015-06-03 EP disclosed
WO-2014018571-A2 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed
WO-2014018569-A1 CYSTATHIONINE-Y-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed