SCHEMBL4051552

SCHEMBL4051552

CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.58
CTSS P25774 7/20 0.45
CCR1 P32246 2/20 0.43
KMT2A Q03164 1/20 0.41
CTSL P07711 6/20 0.40
CTSB P07858 1/20 0.40
CTSV O60911 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ACE P12821 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL4046358 0.95 CTSK (0.54) CTSKCTSSCCR1KMT2ACTSL
SCHEMBL4042607 0.94 CTSK (0.53) CTSKCTSSCCR1KMT2ACTSL
SCHEMBL4038859 0.93 CTSK (0.53) CTSKCTSSCCR1KMT2ACTSL
SCHEMBL4039586 0.93 CTSK (0.65) CTSKCTSSCCR1KMT2ACTSL
SCHEMBL4041699 0.93 CTSK (0.56) CTSKCTSSCCR1KMT2ACTSL
SCHEMBL4043681 0.93 CTSK (0.52) CTSKCTSSKMT2ACTSLCTSB
SCHEMBL4043273 0.93 CTSK (0.65) CTSKCTSSCCR1KMT2ACTSL
SCHEMBL4039454 0.92 CTSK (0.51) CTSKCTSSKMT2ACTSLCTSB
SCHEMBL4053232 0.91 CTSK (0.48) CTSKCTSSCCR1KMT2ACTSL
SCHEMBL6209883 0.91 CTSK (0.50) CTSKCTSSCTSLCTSBCTSV

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