SCHEMBL3950231

SCHEMBL3950231

Cc1ccccc1NC(=O)OC[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[N+]1(C(=O)[O-])C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
CCR8 P51685 2/20 0.36
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GRK2 P25098 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CTSB P07858 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3949282 0.86 KMT2A (0.41) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3951319 0.84 CTSL (0.44) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3950858 0.83 CTSL (0.41) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3949447 0.83 CTSL (0.41) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3955669 0.82 ALDH1A1 (0.44) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3949052 0.81 CTSL (0.46) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3948515 0.80 CTSL (0.45) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3944081 0.78 CTSL (0.39) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3954226 0.78 CTSL (0.40) ALDH1A1CTSLCTSSCTSKCTSC
SCHEMBL3952219 0.77 CTSL (0.44) ALDH1A1CTSLCTSSCTSKCTSC

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