SCHEMBL6597394

SCHEMBL6597394

Cc1cc(C)n(C(c2cc(-c3ccc[n+](CC(=O)c4cc([N+](=O)[O-])cs4)c3)[nH]n2)C2CCCCC2)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6598839 0.81 HTT (0.35) SMN1; SMN2
SCHEMBL3689760 0.80 SMN1; SMN2 (0.39) SMN1; SMN2
Hydrochloric Acid SCHEMBL5361934 0.80 HTT (0.35) SMN1; SMN2
Bromide SCHEMBL1194391 0.79 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL6598296 0.79 SMN1; SMN2 (0.38) SMN1; SMN2
Bromide SCHEMBL5441123 0.78 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL6618821 0.78 MAPT (0.36) SMN1; SMN2
Bromide SCHEMBL1194586 0.77 ALDH1A1 (0.38) SMN1; SMN2
Bromide SCHEMBL6598138 0.77 MAPT (0.32) SMN1; SMN2
Bromide SCHEMBL6597813 0.73 MAPT (0.34)

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-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed