SCHEMBL3950831

SCHEMBL3950831

CC(C)(C)C(=O)NC[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[N+]1(C(=O)[O-])C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSC P53634 1/20 0.43
ALDH1A1 P00352 2/20 0.38
CTSB P07858 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 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
SCHEMBL3954226 0.88 CTSL (0.40) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3949052 0.88 CTSL (0.46) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3948515 0.87 CTSL (0.45) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3944081 0.86 CTSL (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3954832 0.86 CTSL (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3955269 0.86 CTSL (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3951319 0.85 CTSL (0.44) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3954708 0.85 CTSL (0.38) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3949933 0.83 MAPT (0.38) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3955669 0.83 ALDH1A1 (0.44) CTSLCTSSCTSKCTSCALDH1A1

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
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed