SCHEMBL6209435

SCHEMBL6209435

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[nH]c1=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.42
CTSS P25774 5/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
USP30 Q70CQ3 2/20 0.35
CTSB P07858 1/20 0.32
TSHR P16473 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
ADAM17 P78536 1/20 0.32
MMP13 P45452 1/20 0.32
PKM P14618 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
SCHEMBL6212349 0.89 CTSK (0.40) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4041519 0.86 CTSK (0.42) CTSKCTSSCTSVCTSLCTSB
SCHEMBL4043485 0.84 CTSK (0.41) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4039009 0.84 CTSK (0.41) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4039467 0.84 CTSK (0.41) CTSKCTSSCTSVCTSLUSP30
SCHEMBL6212766 0.83 CTSK (0.40) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4040938 0.82 CTSK (0.40) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4042823 0.82 CTSK (0.40) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4044330 0.81 CTSK (0.41) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4040930 0.81 ACE (0.40) CTSKCTSSCTSVCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed