SCHEMBL9760901

SCHEMBL9760901

CCOc1nsc(N(C)C)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9760998 0.78 MAPT (0.36) MAPTPOLBSMN1; SMN2
SCHEMBL9761257 0.75 CCR6 (0.32) MAPT
SCHEMBL9160637 0.69 LMNA (0.40) MAPTSMN1; SMN2
SCHEMBL9762166 0.68 MAPT (0.46) MAPTPOLBSMN1; SMN2
SCHEMBL30677226 0.67 MAPT (0.47) MAPTPOLBSMN1; SMN2
SCHEMBL9762566 0.67 NPBWR1 (0.41) MAPTSMN1; SMN2
SCHEMBL9762467 0.66 MAPT (0.35) MAPT
SCHEMBL10400102 0.64 MAPT (0.41) MAPTPOLBSMN1; SMN2
SCHEMBL1502252 0.63 GRIN2D (0.45) MAPTPOLBSMN1; SMN2
SCHEMBL9762572 0.62 GAA (0.36) MAPT

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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed