SCHEMBL4042570

SCHEMBL4042570

CCCC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.34
MC4R P32245 1/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
PREP P48147 3/20 0.32
FAP Q12884 2/20 0.32
ELANE P08246 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
TBXAS1 P24557 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
SCHEMBL4041363 0.93 CTSK (0.42) CTSKMMP1MMP3MMP9PREP
SCHEMBL4042699 0.91 CTSK (0.32) CTSKPREPFAP
SCHEMBL4051650 0.90 HSD17B10 (0.36) CTSKPREPFAPMEN1KMT2A
SCHEMBL4051965 0.89 MC4R (0.38) CTSKMC4RMC3RMC1RMMP1
SCHEMBL4044808 0.88 CTSK (0.36) CTSKPREPFAPELANE
SCHEMBL4040719 0.88 SMYD3 (0.35) CTSKPREPFAPALDH1A1L3MBTL1
SCHEMBL4043203 0.88 CTSK (0.35) CTSKMC4RMC3RMC1RPREP
SCHEMBL4050322 0.88 CTSK (0.34) CTSKPREPFAPELANEKMT2A
SCHEMBL4046884 0.87 CTSK (0.34) CTSKMMP1MMP3PREPFAP
SCHEMBL4046940 0.87 KDM4E (0.35) CTSKMC4RMC3RMC1RMMP1

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