SCHEMBL4043833

SCHEMBL4043833

O=C(NC(Cc1cccc(O)c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.36
F2 P00734 5/20 0.36
PLG P00747 5/20 0.36
ST14 Q9Y5Y6 5/20 0.36
CTSK P43235 3/20 0.35
PLAU P00749 4/20 0.34
P2RX7 Q99572 4/20 0.34
ITGB1 P05556 4/20 0.34
ITGA4 P13612 4/20 0.34
ITGB7 P26010 2/20 0.34
HTRA1 Q92743 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 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
SCHEMBL4046036 0.92 P2RX7 (0.36) CTSKP2RX7ITGB1ITGA4ITGB7
SCHEMBL4047214 0.91 CTSK (0.33) F10F2PLGST14CTSK
SCHEMBL4047882 0.89 F2 (0.36) F10F2PLGST14CTSK
SCHEMBL4041712 0.89 ITGA4 (0.40) F10F2PLGST14CTSK
SCHEMBL4041901 0.89 P2RX7 (0.39) CTSKP2RX7ITGB1ITGA4ITGB7
SCHEMBL4051296 0.86 CTSL (0.39) CTSK
SCHEMBL4044695 0.86 CTSK (0.36) CTSKMMP13
SCHEMBL4046932 0.83 GPR132 (0.35) CTSKITGA4ITGB7HTRA1
SCHEMBL4043350 0.83 HTRA1 (0.35) CTSKITGA4ITGB7HTRA1
SCHEMBL4044160 0.83 CTSB (0.37) 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