SCHEMBL11367151

SCHEMBL11367151

Cc1ccc(-c2nsc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MAPK1 P28482 1/20 0.44
NPBWR1 P48145 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40

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
SCHEMBL11366588 0.86 ALDH1A1 (0.51) MAPTACHESMN1; SMN2ALDH1A1KMT2A
SCHEMBL11568065 0.86 MIF (0.49) MAPTHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL11208894 0.86 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11350394 0.85 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL31165708 0.82 SMN1; SMN2 (0.46) MAPTACHEHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4040996 0.82 SMN1; SMN2 (0.46) MAPTACHEHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL6589380 0.81 TDP1 (0.43) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11363412 0.79 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6589377 0.79 TDP1 (0.43) MAPTSMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL11475471 0.78 MAPT (0.43) MAPTKMT2AMEN1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4277477-A TREATING CARDIAC ARRHYTHMIA BASF AKTIENGESELLSCHAFT (DE) 1981-07-07 US disclosed
EP-0000727-B1 3-(4-(1,3-DIAZACYCLOALKENE-2-YL)-PHENYL)-1,2-BENZISOTHIAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM. BASF Aktiengesellschaft (DE) 1980-08-20 EP disclosed
US-4206217-A ANTIARRHYTHMIA BASF AKTIENGESELLSCHAFT (DE) 1980-06-03 US disclosed
EP-0000750-A1 1,2-Benzisothiazoles and process for their preparation BASF Aktiengesellschaft (DE) 1979-02-21 EP disclosed
EP-0000727-A1 3-(4-(1,3-Diazacycloalkene-2-yl)-phenyl)-1,2-benzisothiazoles, process for their preparation and medicaments containing them. BASF Aktiengesellschaft (DE) 1979-02-21 EP disclosed