SCHEMBL3948515

SCHEMBL3948515

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSC P53634 1/20 0.45
ALDH1A1 P00352 1/20 0.40
CTSB P07858 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
METAP2 P50579 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTT P42858 2/20 0.30
MAPK1 P28482 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
SCHEMBL3949052 0.91 CTSL (0.46) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3952237 0.89 L3MBTL1 (0.45) ALDH1A1KMT2AEDNRBEDNRAKDM4E
SCHEMBL3951319 0.88 CTSL (0.44) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3950831 0.87 CTSL (0.43) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3955669 0.87 ALDH1A1 (0.44) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3949555 0.85 CTSL (0.51) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3949447 0.84 CTSL (0.41) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3950858 0.84 CTSL (0.41) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3954226 0.84 CTSL (0.40) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3947754 0.83 CTSL (0.42) 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