SCHEMBL6212349

SCHEMBL6212349

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[nH]c1=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
HPGDS O60760 1/20 0.37
CTSS P25774 4/20 0.35
CTSB P07858 1/20 0.35
USP30 Q70CQ3 2/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
CHRM4 P08173 1/20 0.34
DRD2 P14416 4/20 0.33
DRD4 P21917 4/20 0.33
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
HTR2A P28223 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL6209435 0.89 CTSK (0.42) CTSKCTSSCTSBUSP30CTSV
SCHEMBL4040158 0.85 CTSK (0.41) CTSKHPGDSCTSSCTSBCTSV
SCHEMBL4042759 0.84 CTSK (0.39) CTSKHPGDSCTSSCTSBUSP30
SCHEMBL4040456 0.83 CTSK (0.39) CTSKHPGDSCTSSCTSBDPP4
SCHEMBL4045112 0.83 CTSK (0.40) CTSKHPGDSCTSSCTSBUSP30
SCHEMBL6211330 0.82 CTSK (0.38) CTSKHPGDSCTSSCTSBUSP30
SCHEMBL6211156 0.81 CHRM4 (0.41) DPP4PREPCHRM4DRD2DRD4
SCHEMBL4040459 0.81 CTSK (0.39) CTSKHPGDSCTSSCTSBUSP30
SCHEMBL4041118 0.81 CTSK (0.39) CTSKHPGDSCTSSCTSBDPP4
SCHEMBL4039089 0.81 CTSK (0.39) CTSKHPGDSCTSSCTSBUSP30

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-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