SCHEMBL7369435

SCHEMBL7369435

CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 3/20 0.52
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
SLC6A9 P48067 4/20 0.45
SLC6A5 Q9Y345 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL7371036 0.88 CTSS (0.55) CTSKCTSSTSHRKMT2AATM
SCHEMBL9300286 0.87 TSHR (0.54) CTSKCTSSTSHRKMT2ASLC6A9
SCHEMBL7372683 0.86 CTSS (0.57) CTSKCTSSCTSLCTSB
SCHEMBL7372337 0.86 CTSS (0.57) CTSKCTSSCTSLCTSB
SCHEMBL13567835 0.86 CTSK (0.53) CTSKCTSSKMT2AATMCTSL
SCHEMBL7373764 0.85 CTSK (0.58) CTSKCTSSTSHRKMT2ASLC6A9
SCHEMBL7367960 0.82 CTSK (0.60) CTSKCTSSCTSLCTSB
SCHEMBL2009327 0.81 SLC6A9 (0.64) CTSKCTSSTSHRKMT2ASLC6A9
SCHEMBL14820895 0.80 CTSK (0.57) CTSKCTSSTSHRKMT2AATM
SCHEMBL29480433 0.80 CTSK (0.50) CTSKCTSSKMT2AATMCTSL

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-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 WO disclosed