SCHEMBL3949282

SCHEMBL3949282

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1COC(=O)NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSC P53634 1/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CCR8 P51685 2/20 0.35
HPGD P15428 1/20 0.34
CNR2 P34972 2/20 0.33
HTT P42858 1/20 0.33
CTSB P07858 1/20 0.33
CNR1 P21554 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3950231 0.86 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3949447 0.85 CTSL (0.41) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3951319 0.84 CTSL (0.44) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3950858 0.83 CTSL (0.41) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3954832 0.83 CTSL (0.39) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3955669 0.82 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3954226 0.81 CTSL (0.40) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3949052 0.81 CTSL (0.46) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3948515 0.80 CTSL (0.45) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL3944081 0.80 CTSL (0.39) KMT2AMEN1ALDH1A1CTSLCTSS

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