SCHEMBL3949447

SCHEMBL3949447

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1COc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSC P53634 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 8/20 0.38
HTR7 P34969 8/20 0.38
ALDH1A1 P00352 2/20 0.38
CTSB P07858 1/20 0.36
KAT6A Q92794 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3951319 0.88 CTSL (0.44) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3955669 0.86 ALDH1A1 (0.44) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3954226 0.85 CTSL (0.40) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3949052 0.85 CTSL (0.46) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3949282 0.85 KMT2A (0.41) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3948515 0.84 CTSL (0.45) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3950858 0.84 CTSL (0.41) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3950301 0.83 CPT2 (0.41) MEN1KMT2AHTR1AHTR7ALDH1A1
SCHEMBL3950231 0.83 ALDH1A1 (0.39) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3944081 0.82 CTSL (0.39) CTSLCTSSCTSKCTSCMEN1

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