SCHEMBL4044247

SCHEMBL4044247

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccsc1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 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
SCHEMBL4048376 0.86 CTSK (0.51) CTSKALDH1A1
SCHEMBL4044693 0.85 CTSK (0.42) CTSKKMT2ADPP8DPP9ALDH1A1
SCHEMBL4042992 0.84 CTSK (0.39) CTSKPKMALDH1A1POLB
SCHEMBL4043459 0.83 CTSK (0.41) CTSKALDH1A1
SCHEMBL4042279 0.81 CTSK (0.37) CTSKALDH1A1POLB
SCHEMBL4040766 0.81 CTSK (0.40) CTSKALDH1A1
SCHEMBL4050761 0.81 PIK3CD (0.42) CTSKDPP4DPP8DPP9ALDH1A1
SCHEMBL4049285 0.81 CTSK (0.41) CTSKMEN1KMT2A
SCHEMBL4044250 0.80 CTSK (0.49) CTSKMEN1PKMKMT2ADPP4
SCHEMBL4228919 0.79 CTSK (0.38) CTSK

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