SCHEMBL4052028

SCHEMBL4052028

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)Oc1cc2sccc2s1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.32
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4044672 0.91 CTSV (0.33) CTSK
SCHEMBL4047331 0.91 CTSK (0.40) CTSK
SCHEMBL4039560 0.91 HCRTR2 (0.33) CTSKSMN1; SMN2
SCHEMBL4042699 0.90 CTSK (0.32) CTSK
SCHEMBL4045954 0.89 SMYD3 (0.33) CTSKALDH1A1MAPT
SCHEMBL4047167 0.88 USP30 (0.36) CTSK
SCHEMBL4040568 0.85 CTSK (0.36) CTSK
SCHEMBL4043944 0.84 CTSK (0.33) CTSKALDH1A1
SCHEMBL4043912 0.83 CTSK (0.32) CTSKMAPTPKM
SCHEMBL4042344 0.83 CTSK (0.33) CTSKMC4RMC5RMC3RALDH1A1

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