SCHEMBL6936141

SCHEMBL6936141

O=C(O)c1ccc(Sc2cccc(O)c2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.56
GSTP1 P09211 1/20 0.56
GSTM2 P28161 1/20 0.56
HTT P42858 2/20 0.55
APEX1 P27695 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 2/20 0.52
BCL2L1 Q07817 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CASP6 P55212 1/20 0.51
HPGD P15428 2/20 0.51
PDE7A Q13946 3/20 0.50
PDE7B Q9NP56 1/20 0.50
LMNA P02545 4/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL6936135 1.00 MAPT (0.62) MAPTALDH1A1GAAGSTP1GSTM2
SCHEMBL10650251 0.88 MAPT (0.79) MAPTALDH1A1GAAGSTP1GSTM2
SCHEMBL6936618 0.85 MAPT (0.57) MAPTALDH1A1GAAHTTMEN1
SCHEMBL18779462 0.85 MAPT (0.63) MAPTALDH1A1GAAGSTP1GSTM2
SCHEMBL7989054 0.83 MAPT (0.60) MAPTALDH1A1GAAGSTP1GSTM2
SCHEMBL810413 0.81 MAPT (0.53) MAPTALDH1A1GAAHTTMEN1
SCHEMBL2962044 0.81 GSTP1 (0.61) MAPTALDH1A1GAAGSTP1GSTM2
SCHEMBL19048781 0.79 MAPT (0.62) MAPTALDH1A1GAAGSTP1GSTM2
SCHEMBL1455551 0.79 MAPT (0.51) MAPTALDH1A1GAAHTTMEN1
SCHEMBL1923978 0.78 BCL2L1 (0.74) MAPTALDH1A1GAAGSTP1GSTM2

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-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed