SCHEMBL3984409

SCHEMBL3984409

CCc1nc(CCO)c([N+](=O)[O-])[nH]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ADORA3 P0DMS8 3/20 0.31
ADORA1 P30542 3/20 0.31
ADORA2A P29274 2/20 0.31
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
SCHEMBL31085369 0.87 MAPT (0.35) GAAMAPTPKMTSHRALDH1A1
SCHEMBL3469591 0.81 MAPT (0.49) GAAMAPTPKMKDM4ETSHR
SCHEMBL3986231 0.72 MAPT (0.47) GAAMAPTPKMKDM4ETSHR
SCHEMBL30518402 0.69 PKM (0.40) MAPTPKM
SCHEMBL7801786 0.68 ALDH1A1 (0.45) GAAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8663859 0.67 MAPT (0.47) GAAMAPTKDM4ETSHRALDH1A1
SCHEMBL8803147 0.66 MAPT (0.46) GAAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9761816 0.66 GAA (0.45) GAAMAPTKDM4EALDH1A1ADORA3
SCHEMBL8594839 0.65 ALDH1A1 (0.46) GAAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5698112 0.65 TSHR (0.34) TSHR

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
WO-2009058387-A2 OLIGOMER-NITROIMIDAZOLE ANTI-INFECTIVE CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-05-07 WO claimed