SCHEMBL7174773

SCHEMBL7174773

CCN(CC)S(=O)(=O)c1cc(N(C)C(C)=O)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALDH3A1 P30838 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7164375 0.87 VCAM1 (0.53) VCAM1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL22116211 0.71 ALDH1A1 (0.76) VCAM1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL7169698 0.69 VCAM1 (0.58) VCAM1ALDH1A1HPGDALDH3A1KMT2A
SCHEMBL12087097 0.69 VCAM1 (0.51) VCAM1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL9395762 0.67 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2LMNATDP1
SCHEMBL5471880 0.66 VCAM1 (1.00) VCAM1ALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL9396448 0.65 POLB (0.55) ALDH1A1POLBHPGDSMN1; SMN2LMNA
SCHEMBL9396479 0.65 POLB (0.46) ALDH1A1POLBHPGDSMN1; SMN2LMNA
SCHEMBL8542275 0.65 ALDH1A1 (0.56) VCAM1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL11189207 0.64 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2LMNAMAPT

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
EP-1293213-A1 PREVENTIVES/REMEDIES FOR POSTOPERATIVE STRESS JAPAN TOBACCO INC. (JP) 2003-03-19 — — EP disclosed
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