SCHEMBL11248729

SCHEMBL11248729

Nc1cc(Sc2ccccc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 15/20 0.58
PDE7B Q9NP56 2/20 0.58
SLC6A4 P31645 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45

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
SCHEMBL11422901 0.88 PDE7A (0.63) PDE7APDE7BSLC6A4MAPTSMN1; SMN2
SCHEMBL15155301 0.88 PDE7A (0.60) PDE7APDE7BMAPTSMN1; SMN2MEN1
SCHEMBL1193561 0.85 PDE7A (0.50) PDE7APDE7BSLC6A4SMN1; SMN2ALDH1A1
SCHEMBL11495179 0.82 PDE7A (0.51) PDE7APDE7BMAPTSMN1; SMN2MEN1
SCHEMBL8490515 0.81 PDE7A (0.69) PDE7APDE7BSLC6A4MAPTSMN1; SMN2
SCHEMBL1193378 0.79 PDE7A (0.49) PDE7ASLC6A4MAPTSMN1; SMN2MEN1
SCHEMBL2419394 0.78 PDE7A (0.56) PDE7APDE7BMAPTSMN1; SMN2MEN1
SCHEMBL6949538 0.78 MAPT (0.50) PDE7ASLC6A4MAPTMEN1ALDH1A1
SCHEMBL30605799 0.77 PDE7A (0.86) PDE7APDE7BSLC6A4MAPTSMN1; SMN2
SCHEMBL866726 0.77 PDE7A (0.86) PDE7APDE7BSLC6A4MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327018-A Azo dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-04-27 US disclosed
US-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 US disclosed