SCHEMBL10945919

SCHEMBL10945919

O=C(O)O[C@@H]1CSC(c2cccc([N+](=O)[O-])c2)N1C(=O)CCCCCCCC(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CACNA1F O60840 3/20 0.37
▸ CACNA1D Q01668 3/20 0.37
▸ CACNA1S Q13698 3/20 0.37
▸ CACNA1C Q13936 3/20 0.37

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
SCHEMBL10945129 0.97 L3MBTL1 (0.43) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10942665 0.85 SMN1; SMN2 (0.45) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10944369 0.85 SMN1; SMN2 (0.45) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10944246 0.82 L3MBTL1 (0.44) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10942993 0.82 L3MBTL1 (0.44) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10944629 0.81 ALDH1A1 (0.42) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10947566 0.79 CACNA1F (0.42) KMT2APOLBALDH1A1LMNACACNA1F
SCHEMBL10942943 0.73 L3MBTL1 (0.43) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10944724 0.71 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10941388 0.69 POLB (0.43) SMN1; SMN2KMT2APOLBALDH1A1

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-0031104-B1 THIAZOLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 — — EP claimed
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