SCHEMBL6236601

SCHEMBL6236601

CCCC(NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
CTSL P07711 4/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 2/20 0.48
PREP P48147 3/20 0.40
FAP Q12884 3/20 0.40
REN P00797 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
CNR2 P34972 1/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL4044622 0.89 CTSK (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL6235462 0.89 CCR1 (0.46) CTSKCTSLCTSSCTSBPREP
SCHEMBL4053232 0.88 CTSK (0.48) CTSKCTSLCTSSPREPFAP
SCHEMBL6211183 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBPREP
SCHEMBL4041378 0.86 CTSK (0.44) CTSKCTSLCTSSPREPFAP
SCHEMBL4039999 0.85 CTSK (0.54) CTSKCTSLCTSSPREPFAP
SCHEMBL4040706 0.85 CTSK (0.45) CTSKCTSLCTSSCTSBPREP
SCHEMBL6235917 0.85 CTSK (0.46) CTSKCTSLCTSSPREPFAP
SCHEMBL4045026 0.84 CTSK (0.36) CTSKCTSLCTSSCTSBPREP
SCHEMBL6237514 0.84 CTSK (0.46) CTSKCTSLCTSSCTSBPREP

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed