SCHEMBL1720141

SCHEMBL1720141

N[N+](=O)c1[c]cc2c(c1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL910508 0.70 MAPT (0.47) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL3076780 0.66 MAOB (0.33) MAPTTSHRKDM4EGAAHTT
SCHEMBL1096341 0.66 MAPT (0.41) MAPTTSHRKDM4EGAAHTT
SCHEMBL910353 0.66 ITGB2 (0.33) MAPTTSHRALDH1A1KDM4EGAA
SCHEMBL2205252 0.66 ALDH1A1 (0.35) MAPTTSHRALDH1A1KDM4EGAA
SCHEMBL20563965 0.62 TSHR (0.32) TSHR
SCHEMBL20563658 0.62 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL20562890 0.62 PKM (0.32) MAPTTSHRALDH1A1KDM4EGAA
SCHEMBL4524447 0.62 KDM4E (0.35) MAPTTSHRALDH1A1KDM4EGAA
SCHEMBL27382541 0.61 ITGB2 (0.53) MAPTTSHRALDH1A1KDM4EGAA

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-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed