SCHEMBL5212896

SCHEMBL5212896

CN1CCCC1CCNc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.60
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
KMT2A Q03164 1/20 0.49
DYRK1A Q13627 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPY1R P25929 2/20 0.48
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 2/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
AHR P35869 1/20 0.47
MAOA P21397 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL6067773 0.92 RIPK1 (0.60) RIPK1NOS3NOS1NOS2KMT2A
SCHEMBL5215368 0.85 NOS3 (0.55) RIPK1NOS3NOS1NOS2KMT2A
SCHEMBL5213890 0.80 RIPK1 (0.65) RIPK1KMT2ADYRK1ANPC1RAB9A
SCHEMBL1913776 0.80 NOS3 (0.58) NOS3NOS1NOS2KMT2ANPC1
SCHEMBL1595222 0.78 MAPT (0.54) KMT2ARAB9AALDH1A1MAPTPOLB
SCHEMBL5005629 0.77 RIPK1 (0.72) RIPK1KMT2ADYRK1ANPC1RAB9A
SCHEMBL6067862 0.76 NOS3 (0.62) NOS3NOS1NOS2KMT2ANPC1
SCHEMBL12005306 0.76 RAD52 (0.52) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5212987 0.76 ALDH1A1 (0.68) RIPK1NOS3NOS1NOS2KMT2A
SCHEMBL1596295 0.75 CHRNB4 (0.49) KMT2ANPC1RAB9AMAPTPOLB

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 4 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-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