SCHEMBL4045653

SCHEMBL4045653

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1)Oc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.38
CTSV O60911 2/20 0.38
CTSK P43235 4/20 0.34
GCK P35557 1/20 0.34
ELANE P08246 1/20 0.34
USP30 Q70CQ3 1/20 0.33
F12 P00748 1/20 0.33
F2RL1 P55085 1/20 0.32
HPGD P15428 2/20 0.32
RECQL P46063 1/20 0.32
REN P00797 4/20 0.32
CTSB P07858 1/20 0.32
HTRA1 Q92743 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4043147 0.90 CTSK (0.40) CTSSCTSLCTSKELANECTSB
SCHEMBL4042447 0.90 CTSL (0.43) CTSSCTSLCTSVCTSKGCK
SCHEMBL4045469 0.89 ELANE (0.37) CTSSCTSLCTSKELANEKMT2A
SCHEMBL4047831 0.89 PREP (0.35) CTSKELANEKMT2A
SCHEMBL4041994 0.89 CTSS (0.39) CTSSCTSLCTSVCTSKGCK
SCHEMBL4045926 0.87 GPR132 (0.36) CTSSCTSLCTSVGCKHTRA1
SCHEMBL4048674 0.86 CTSS (0.37) CTSSCTSLCTSVCTSKGCK
SCHEMBL4041473 0.85 CTSS (0.41) CTSSCTSLCTSVCTSKUSP30
SCHEMBL4046543 0.84 KCNQ1 (0.38) CTSSCTSLCTSVGCKF12
SCHEMBL4043092 0.82 CTSL (0.32) CTSSCTSLCTSVCTSKGCK

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