SCHEMBL4047882

SCHEMBL4047882

O=C(NC(Cc1cccc(O)c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PLG P00747 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
PLAU P00749 1/20 0.36
KCNQ1 P51787 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NAMPT P43490 1/20 0.35
EPHX1 P07099 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ACE P12821 2/20 0.34
BCL2 P10415 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GPR132 Q9UNW8 3/20 0.34
CHRNA7 P36544 1/20 0.34
CMKLR2 P46091 1/20 0.34
CMKLR1 Q99788 1/20 0.34

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
SCHEMBL4046868 0.93 ITGB1 (0.37) F2KCNQ1ALDH1A1NAMPTCTSB
SCHEMBL4044160 0.91 CTSB (0.37) NAMPTEPHX1CTSBCTSSCTSK
SCHEMBL4045597 0.90 ACE (0.36) F2F10PLGST14PLAU
SCHEMBL4043833 0.89 F10 (0.36) F2F10PLGST14PLAU
SCHEMBL4041436 0.89 ALDH1A1 (0.39) F2KCNQ1ALDH1A1BCL2GPR132
SCHEMBL4051296 0.88 CTSL (0.39) CTSBCTSSCTSK
SCHEMBL4051777 0.87 CTSK (0.44) KCNQ1ALDH1A1NAMPTCTSBCTSS
SCHEMBL4042165 0.86 EPHX1 (0.37) EPHX1CTSBCTSSCTSKACE
SCHEMBL4048312 0.86 KCNQ1 (0.40) KCNQ1ALDH1A1NAMPTCTSKELOVL6
SCHEMBL4046932 0.85 GPR132 (0.35) CTSBCTSSCTSKGPR132ITGAV

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