SCHEMBL4748682

SCHEMBL4748682

O=Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.64
PTGES O14684 1/20 0.54
ERN1 O75460 1/20 0.51
GAA P10253 1/20 0.51
PDE7B Q9NP56 2/20 0.49
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP19A1 P11511 1/20 0.45
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL6926885 0.86 PDE7A (0.48) PDE7APTGESERN1GAAPDE7B
SCHEMBL6929731 0.85 GAA (0.69) PDE7APTGESERN1GAAPDE7B
SCHEMBL6929722 0.85 GAA (0.55) PDE7APTGESERN1GAAPDE7B
SCHEMBL6927608 0.85 GAA (0.52) PDE7APTGESERN1GAAPDE7B
SCHEMBL6927792 0.85 ERN1 (0.56) PDE7APTGESERN1GAAPDE7B
SCHEMBL6922508 0.85 PDE7A (0.55) PDE7APTGESERN1GAAPDE7B
SCHEMBL6929496 0.85 PDE7A (0.54) PDE7APTGESERN1GAAPDE7B
SCHEMBL6928500 0.82 PDE7A (0.54) PDE7APTGESERN1GAAPDE7B
SCHEMBL6929282 0.82 GAA (0.52) PDE7APTGESERN1GAAPDE7B
SCHEMBL6926325 0.82 GAA (0.58) PDE7APTGESERN1GAAPDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134354-A1 TNF-α PRODUCTION INHIBITOR ARRAY BIOPHARMA, INC. (US) 2008-11-06 WO disclosed
US-4006145-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-02-01 US disclosed
US-4006144-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-02-01 US disclosed