SCHEMBL6137255

SCHEMBL6137255

CCOC(=O)c1c(C)nc(C)c(C#N)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ACHE P22303 2/20 0.56
CACNB4 O00305 1/20 0.56
CACNA1A O00555 1/20 0.56
CACNA1G O43497 1/20 0.56
CACNG3 O60359 1/20 0.56
CACNA1F O60840 1/20 0.56
CACNA1H O95180 1/20 0.56
BCHE P06276 1/20 0.56
CACNB3 P54284 1/20 0.56
CACNA2D1 P54289 1/20 0.56
CACNG7 P62955 1/20 0.56
CACNA1B Q00975 1/20 0.56
CACNA1D Q01668 1/20 0.56
CACNB1 Q02641 1/20 0.56
CACNG1 Q06432 1/20 0.56
CACNB2 Q08289 1/20 0.56
CACNA1S Q13698 1/20 0.56
CACNA1C Q13936 1/20 0.56
CACNA1E Q15878 1/20 0.56

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
SCHEMBL10747824 0.90 ACHE (0.47) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G
SCHEMBL7266087 0.89 ACHE (0.48) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G
SCHEMBL6137173 0.87 AR (0.57) SMN1; SMN2CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6956135 0.86 SMN1; SMN2 (0.62) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G
SCHEMBL7421872 0.86 MAPT (0.63) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G
SCHEMBL10748082 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G
SCHEMBL6137231 0.84 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1L3MBTL1MAPTGAA
SCHEMBL11010904 0.83 ACHE (0.51) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G
SCHEMBL11011629 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G
SCHEMBL6137171 0.82 ALDH1A1 (0.58) SMN1; SMN2ACHECACNB4CACNA1ACACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372657-A4 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1372657-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
WO-2002078639-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed