SCHEMBL4045950

SCHEMBL4045950

CC(C)CC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.43
CTSL P07711 12/20 0.43
CTSS P25774 8/20 0.43
CTSB P07858 4/20 0.43
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
CTSV O60911 2/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL4044622 0.93 CTSK (0.38) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4047618 0.92 CTSK (0.40) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4043689 0.90 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051956 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4051166 0.88 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4044864 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041598 0.86 CTSK (0.40) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4037997 0.86 CTSK (0.40) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4045311 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4046882 0.85 CTSK (0.41) CTSKCTSLCTSSCTSBKMT2A

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