SCHEMBL4040960

SCHEMBL4040960

CCCC(NC(=O)Oc1oc2ccccc2c1C)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
CTSK P43235 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL4043854 0.93 CTSK (0.39) CTSKL3MBTL1
SCHEMBL4040797 0.92 CTSV (0.33) CTSKL3MBTL1
SCHEMBL4045411 0.90 PREP (0.33) PREPFAPCTSKL3MBTL1KDM4E
SCHEMBL4045719 0.89 SMN1; SMN2 (0.32) CTSKSMN1; SMN2
SCHEMBL4047816 0.86 CTSK (0.33) PREPFAPCTSK
SCHEMBL4043247 0.85 CTSK (0.39) PREPFAPCTSK
SCHEMBL4046418 0.84 CTSK (0.33) PREPFAPCTSK
SCHEMBL4041133 0.84 CTSK (0.36) PREPFAPCTSKSMN1; SMN2
SCHEMBL4042714 0.84 SMN1; SMN2 (0.36) PREPFAPCTSKTSHRHTT
SCHEMBL4044073 0.84 CTSK (0.33) PREPFAPCTSK

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