SCHEMBL4042447

SCHEMBL4042447

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)Oc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.43
CTSS P25774 15/20 0.43
CTSK P43235 15/20 0.43
CTSV O60911 2/20 0.39
CTSB P07858 1/20 0.36
USP30 Q70CQ3 1/20 0.34
GCK P35557 2/20 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
SCHEMBL4041994 0.90 CTSS (0.39) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4045653 0.90 CTSS (0.38) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4046866 0.89 CTSK (0.43) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4051200 0.89 CTSK (0.44) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4046503 0.89 CTSL (0.37) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4047616 0.88 CTSL (0.46) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4046543 0.87 KCNQ1 (0.38) CTSLCTSSCTSVGCK
SCHEMBL4041473 0.86 CTSS (0.41) CTSLCTSSCTSKCTSVUSP30
SCHEMBL4039394 0.86 CTSL (0.42) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4047132 0.85 CTSS (0.39) CTSLCTSSCTSKCTSVCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed