SCHEMBL3662335

SCHEMBL3662335

Cn1nccc1-c1cccc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSA P10619 1/20 0.46
MAP2K4 P45985 1/20 0.45
PARP1 P09874 2/20 0.45
CBLB Q13191 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
TLR8 Q9NR97 2/20 0.43
PRKCI P41743 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 1/20 0.42
BRD4 O60885 1/20 0.42
LIMK1 P53667 1/20 0.42
PIK3CA P42336 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
SCHEMBL940183 0.86 KDM5A (0.52) CTSVCTSLCTSBCTSSCTSA
SCHEMBL30740531 0.86 KDM5A (0.52) CTSVCTSLCTSBCTSSCTSA
SCHEMBL6162351 0.82 DGAT2 (0.49) CTSVCTSLCTSBCTSSCTSA
SCHEMBL6612788 0.80 CTSV (0.51) CTSVCTSLCTSBCTSSCTSA
SCHEMBL30949272 0.79 CTSA (0.40) CTSVCTSLCTSBCTSSCTSA
SCHEMBL3342644 0.78 ALDH1A1 (0.52) FYNCTSAMAP2K4PARP1BAZ2B
SCHEMBL980384 0.76 PIK3CD (0.50) CTSAPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL20817541 0.76 NT5E (0.63) FYNCTSAPIK3CDPIK3CAPIK3CB
SCHEMBL30797840 0.76 NT5E (0.63) FYNCTSAPIK3CDPIK3CAPIK3CB
SCHEMBL3344435 0.75 PKMYT1 (0.47) TLR8PIK3CDBRD4PIK3CAPIK3CB

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-3386951-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS H. Hoffnabb-La Roche Ag (CH) 2018-10-17 EP claimed
WO-2017097732-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO claimed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed