SCHEMBL14192526

SCHEMBL14192526

CCC(=O)Nc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
MAPT P10636 5/20 0.70
L3MBTL1 Q9Y468 1/20 0.69
HTT P42858 3/20 0.60
KMT2A Q03164 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HPGD P15428 1/20 0.57
CCR6 P51684 1/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL6405857 0.88 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL14202810 0.87 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL10674588 0.87 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL30168150 0.87 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL10629031 0.85 MAPT (0.81) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL2072200 0.84 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL4490833 0.84 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL3271853 0.84 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL9819225 0.83 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL1285405 0.83 HTT (0.74) ALDH1A1MAPTL3MBTL1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed