SCHEMBL4045249

SCHEMBL4045249

CCCC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.36
ELANE P08246 3/20 0.35
CCR1 P32246 1/20 0.35
CCR4 P51679 1/20 0.34
P2RY12 Q9H244 1/20 0.34
TGM2 P21980 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4039525 0.92 CTSK (0.42) CTSKELANECCR4LMNA
SCHEMBL4044695 0.92 CTSK (0.36) CTSKP2RY12
SCHEMBL4043292 0.91 ALDH1A1 (0.37) CTSKP2RY12LMNA
SCHEMBL4049558 0.89 CTSK (0.36) CTSKELANECCR1TGM2
SCHEMBL4048294 0.89 ALDH1A1 (0.37) LMNAHPGD
SCHEMBL4044587 0.89 CTSK (0.35) CTSKELANEP2RY12
SCHEMBL4049444 0.88 PREP (0.33) CTSKELANEP2RY12
SCHEMBL4044730 0.88 LMNA (0.39) CTSKCCR1LMNA
SCHEMBL4051242 0.88 CTSK (0.33) CTSKELANEP2RY12
SCHEMBL4047785 0.87 CTSK (0.32) CTSK

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