SCHEMBL7665374

SCHEMBL7665374

CCOC(=O)c1cc([N+](=O)[O-])ccc1CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 4/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
CACNA1C Q13936 2/20 0.48
CACNA1F O60840 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
AR P10275 2/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
MITF O75030 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GALR2 O43603 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 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
SCHEMBL20968366 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL550921 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL10514258 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL20968303 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL7723906 0.88 SMN1; SMN2 (0.68) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL2527342 0.86 ALDH1A1 (0.57) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL550516 0.86 SMN1; SMN2 (0.63) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL17737227 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKMT2AARMEN1
SCHEMBL14114749 0.85 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL3299225 0.85 CA12 (0.62) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A

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
US-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed