SCHEMBL4052518

SCHEMBL4052518

CC(C)CC(NC(=O)c1ccc(CF)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.51
CTSS P25774 3/20 0.40
HSD17B10 Q99714 1/20 0.39
HCRTR2 O43614 1/20 0.38
LMNA P02545 1/20 0.36
CCR1 P32246 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
CTSL P07711 2/20 0.36
F2 P00734 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4041749 0.92 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2LMNA
SCHEMBL4042773 0.91 CTSK (0.55) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4042094 0.91 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4040525 0.91 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4039791 0.90 CTSK (0.64) CTSKCTSSHSD17B10HCRTR2LMNA
SCHEMBL4037827 0.90 CTSK (0.65) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4043892 0.90 CTSK (0.51) CTSKCTSSHSD17B10HCRTR2PREP
SCHEMBL4037456 0.90 CTSK (0.51) CTSKCTSSHSD17B10LMNAPOLB
SCHEMBL4042964 0.89 CTSK (0.49) CTSKCTSSHSD17B10HCRTR2CTSL
SCHEMBL4039481 0.89 CTSK (0.56) CTSKCTSSHSD17B10HCRTR2CTSL

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed