SCHEMBL4044622

SCHEMBL4044622

CCCC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.38
CTSL P07711 3/20 0.38
CTSS P25774 3/20 0.38
CTSB P07858 1/20 0.38
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
ELANE P08246 1/20 0.32
KMT2A Q03164 1/20 0.31
MC4R P32245 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
REN P00797 1/20 0.31
CTSD P07339 1/20 0.31
CTSE P14091 1/20 0.31
LMNA P02545 1/20 0.30
F10 P00742 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4045950 0.93 CTSK (0.43) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4042075 0.92 PREP (0.36) CTSKCTSLCTSSCTSBPREP
SCHEMBL4044872 0.90 CTSK (0.44) CTSKCTSLCTSSCTSBPREP
SCHEMBL4045026 0.89 CTSK (0.36) CTSKCTSLCTSSCTSBPREP
SCHEMBL6236601 0.89 CTSK (0.48) CTSKCTSLCTSSCTSBPREP
SCHEMBL4046652 0.88 CHRNB2 (0.35) CTSKCTSLCTSSCTSBPREP
SCHEMBL4052232 0.88 CTSK (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL4039771 0.87 ALDH1A1 (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL4045022 0.86 CTSK (0.35) CTSKCTSLCTSSCTSBPREP
SCHEMBL4043139 0.86 ELANE (0.37) CTSKPREPFAPELANEKMT2A

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