SCHEMBL4045843

SCHEMBL4045843

CCCC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
TGM2 P21980 1/20 0.35
ELANE P08246 1/20 0.33
PORCN Q9H237 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL4045333 0.92 CTSK (0.53) CTSKCTSLCTSSUTS2RMEN1
SCHEMBL4043597 0.91 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4040451 0.89 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4049845 0.89 CTSK (0.40) CTSKCTSLCTSSPREPFAP
SCHEMBL4049188 0.88 CTSK (0.40) CTSKCTSLCTSSPREPFAP
SCHEMBL4049326 0.88 CTSK (0.42) CTSKCTSLCTSSPREPFAP
SCHEMBL4041556 0.88 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4044655 0.88 CTSK (0.39) CTSKCTSLCTSSPREPFAP
SCHEMBL4052303 0.88 CTSK (0.35) CTSKPREPFAPTGM2ELANE
SCHEMBL4043883 0.87 CTSK (0.42) CTSKCTSLCTSSTGM2

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