SCHEMBL7580144

SCHEMBL7580144

COc1c([N+](=O)[O-])ccc(Sc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PDE7A Q13946 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GSTP1 P09211 1/20 0.50
GSTM2 P28161 1/20 0.50
PDE7B Q9NP56 1/20 0.50
HTT P42858 2/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40

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
SCHEMBL2960260 0.75 PDE7A (0.62) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL9709555 0.75 PDE7A (0.58) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL11563755 0.74 TDP1 (0.49) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL10534522 0.73 ALDH1A1 (0.53) MAPTMEN1KMT2ATDP1HTT
SCHEMBL4707544 0.73 PDE7A (0.48) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL1713219 0.71 PDE7A (0.65) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL30338244 0.71 PDE7A (0.65) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL2904377 0.71 ALDH1A1 (0.56) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL6569987 0.71 MAPT (0.55) MAPTMEN1KMT2APDE7ATDP1
SCHEMBL810289 0.70 PDE7A (0.68) MAPTMEN1KMT2APDE7ATDP1

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-0905121-B1 o-nitro(thio)phenol compounds and their preparation INFINEON TECHNOLOGIES AG (DE) 2002-07-03 EP disclosed