SCHEMBL5215317

SCHEMBL5215317

O=[N+]([O-])c1ccc2nc(NCCc3ccc(Br)cc3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.67
ACHE P22303 1/20 0.67
NPY1R P25929 2/20 0.65
RIPK1 Q13546 2/20 0.65
DYRK1A Q13627 1/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 1/20 0.51
ACP1 P24666 1/20 0.51
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.48
STAT1 P42224 1/20 0.48
MCL1 Q07820 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL14395001 0.89 BCHE (0.67) BCHEACHENPY1RRIPK1DYRK1A
SCHEMBL5001727 0.88 RIPK1 (0.67) BCHEACHENPY1RRIPK1DYRK1A
SCHEMBL5219432 0.82 NPC1 (0.52) BCHEACHENPY1RMAPTNPC1
SCHEMBL5215844 0.81 RIPK1 (0.61) BCHEACHENPY1RRIPK1DYRK1A
SCHEMBL17085420 0.81 BCHE (1.00) BCHEACHENPY1RRIPK1DYRK1A
SCHEMBL5310554 0.81 RIPK1 (0.73) BCHEACHENPY1RRIPK1DYRK1A
Bromide SCHEMBL17075916 0.80 BCHE (0.98) BCHEACHENPY1RRIPK1DYRK1A
SCHEMBL14000788 0.79 NPY1R (1.00) BCHEACHENPY1RRIPK1
SCHEMBL5213462 0.78 RIPK1 (0.62) BCHEACHENPY1RRIPK1DYRK1A
SCHEMBL5005571 0.78 RIPK1 (0.72) BCHEACHENPY1RRIPK1DYRK1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP disclosed
EP-1539724-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2005-06-15 EP disclosed
WO-2004014885-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2004-02-19 WO disclosed