SCHEMBL7608814

SCHEMBL7608814

O=[N+]([O-])c1ccc(Sc2ccc(Cl)c(Cl)c2)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.71
PDE4B Q07343 1/20 0.67
PDE4D Q08499 1/20 0.67
PDE7B Q9NP56 1/20 0.67
HSD17B10 Q99714 1/20 0.66
LMNA P02545 5/20 0.59
MAPT P10636 3/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 1/20 0.47
ALPG P10696 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
VCAM1 P19320 1/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL1149232 0.86 PDE7A (0.78) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL27581742 0.85 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL6927189 0.84 MAPT (0.53) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL2030452 0.84 PDE7A (0.74) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL10925413 0.83 MAPT (0.66) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL11099410 0.83 VCAM1 (0.62) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL8308859 0.83 PDE7A (1.00) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL10924255 0.82 PDE7A (0.76) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL85918 0.81 HSD17B10 (1.00) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL29360183 0.81 HSD17B10 (1.00) PDE7APDE4BPDE4DPDE7BHSD17B10

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
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 EP disclosed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 WO disclosed