SCHEMBL7605579

SCHEMBL7605579

O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.67
PDE4B Q07343 1/20 0.63
PDE4D Q08499 1/20 0.63
PDE7B Q9NP56 1/20 0.63
HSD17B10 Q99714 1/20 0.56
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
IDO1 P14902 1/20 0.56
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.50
ALPG P10696 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50

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
SCHEMBL27581742 0.93 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL27581789 0.89 PDE7A (0.74) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL7605580 0.89 PDE7A (0.58) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL7606527 0.89 PDE7A (0.70) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL27581790 0.89 PDE7A (0.58) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL23407733 0.87 PDE7A (0.68) PDE7APDE4BPDE4DPDE7BIDO1
SCHEMBL1149232 0.87 PDE7A (0.78) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL7641381 0.87 PDE7A (0.55) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL6925412 0.87 PDE7A (0.52) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL7610002 0.85 PDE7A (0.59) 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