SCHEMBL4046543

SCHEMBL4046543

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)Oc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.38
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
GCK P35557 2/20 0.33
F12 P00748 2/20 0.33
GPR132 Q9UNW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAMPT P43490 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR2 O43614 1/20 0.33
FPR2 P25090 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.32
HTRA1 Q92743 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL4051046 0.90 CTSV (0.39) CTSVCTSLCTSSF12GPR132
SCHEMBL4045926 0.90 GPR132 (0.36) CTSVCTSLCTSSGCKGPR132
SCHEMBL4043490 0.90 CTSK (0.40) KCNQ1CTSLCTSSHSD17B10HCRTR2
SCHEMBL4046102 0.89 KCNQ1 (0.38) KCNQ1HSD17B10HPGDHCRTR2ELOVL6
SCHEMBL4045505 0.89 KCNQ1 (0.38) KCNQ1HSD17B10HCRTR2ELOVL6
SCHEMBL4043817 0.88 CTSL (0.39) KCNQ1CTSVCTSLCTSSF12
SCHEMBL4042447 0.87 CTSL (0.43) CTSVCTSLCTSSGCK
SCHEMBL4043670 0.85 CTSV (0.37) KCNQ1CTSVCTSLCTSSGCK
SCHEMBL4041667 0.85 HTRA1 (0.38) CTSVCTSLCTSSF12GPR132
SCHEMBL4041994 0.84 CTSS (0.39) CTSVCTSLCTSSGCKF12

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