SCHEMBL4052396

SCHEMBL4052396

CCCC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.49
PADI1 Q9ULC6 1/20 0.39
PADI4 Q9UM07 1/20 0.39
CTSS P25774 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
AURKA O14965 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4044626 0.92 CTSK (0.59) CTSKPADI1PADI4CTSSCDK4
SCHEMBL4039596 0.86 CTSK (0.62) CTSKCTSSLMNAMAPT
SCHEMBL4040318 0.84 CTSK (0.60) CTSKCTSSLMNAMAPT
SCHEMBL4042027 0.84 CTSK (0.64) CTSKCTSSAURKA
SCHEMBL4045203 0.83 CTSK (0.54) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL6213222 0.81 HPGDS (0.40) CTSKAURKALMNAMAPT
SCHEMBL4037734 0.80 CTSK (0.55) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL4044020 0.80 CTSK (0.75) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL4368912 0.80 CTSK (0.75) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL4368915 0.80 CTSK (0.75) CTSKCTSSCDK4CCNA2CCND1

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