SCHEMBL7608857

SCHEMBL7608857

O=[N+]([O-])c1ccc(Sc2ccc(F)cc2F)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.58
PDE4B Q07343 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE7B Q9NP56 1/20 0.56
LMNA P02545 5/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HSPB1 P04792 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
USP2 O75604 1/20 0.45
ALPG P10696 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.45
USP10 Q14694 1/20 0.44
USP7 Q93009 1/20 0.44
USP47 Q96K76 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
SCHEMBL27581742 0.86 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7605580 0.85 PDE7A (0.58) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL31217501 0.82 TXNRD1 (0.63) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL20379950 0.80 PDE7A (0.56) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7605579 0.80 PDE7A (0.67) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7607910 0.78 PDE7A (0.78) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7610275 0.77 PDE7A (0.78) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL9484826 0.74 HSD17B10 (0.58) LMNAHSD17B10HSPB1ALDH1A1MAPT
SCHEMBL8308859 0.74 PDE7A (1.00) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL1149232 0.74 PDE7A (0.78) PDE7APDE4BPDE4DPDE7BLMNA

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