SCHEMBL9762572

SCHEMBL9762572

CN(C)c1snc([N+](=O)[O-])c1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CCR6 P51684 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
SCHEMBL9761168 0.79 GAA (0.35) GAAMAPTALDH1A1MAPK1HTT
SCHEMBL9762544 0.73 GAA (0.31) GAA
SCHEMBL9762169 0.68 KMT2A (0.37) GAAMAPTALDH1A1MAPK1HTT
SCHEMBL9761177 0.68
SCHEMBL9761831 0.64 CCR6 (0.33) MAPTALDH1A1CCR6
SCHEMBL9760901 0.62 MAPT (0.33) MAPT
SCHEMBL10400603 0.61 MAPT (0.41) GAAMAPTALDH1A1HTT
SCHEMBL15932899 0.61 MAPT (0.37) GAAMAPTALDH1A1HTTCCR6
SCHEMBL9761467 0.58 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL9629226 0.54 KDM4E (0.36) GAAMAPTALDH1A1

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