SCHEMBL8056804

SCHEMBL8056804

N#CCNS(=O)(=O)c1cc(Br)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSC P53634 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CTSB P07858 1/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EDNRB P24530 2/20 0.45
EDNRA P25101 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL13663732 0.81 RECQL (0.45) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL197038 0.79 ALDH1A1 (0.49) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL20451437 0.76 SIGMAR1 (0.54) CA1CA2GAA
SCHEMBL26921226 0.75 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL18706988 0.75 ALDH1A1 (0.49) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL8060863 0.75 ALDH1A1 (0.52) ALDH1A1GLASMN1; SMN2KMT2AMEN1
SCHEMBL8053790 0.74 L3MBTL1 (0.47) CTSLCTSSCTSKALDH1A1CTSB
SCHEMBL16333682 0.74 ATM (0.56) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL198379 0.74 RECQL (0.69) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL196418 0.74 RECQL (0.69) ALDH1A1GLASMN1; SMN2EDNRBEDNRA

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