SCHEMBL7605576

SCHEMBL7605576

O=[N+]([O-])c1ccc(-c2c(Cl)ccc(Sc3ccc(Cl)c(-c4ccc([N+](=O)[O-])cc4F)c3Cl)c2Cl)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.48
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE7B Q9NP56 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 1/20 0.40
VCAM1 P19320 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RORC P51449 1/20 0.38
PTPRC P08575 1/20 0.37
S100A4 P26447 1/20 0.37

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
SCHEMBL7605577 0.87 HSD17B10 (0.53) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7606524 0.84 PDE7A (0.54) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7610000 0.83 PDE7A (0.49) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7641380 0.77 ALDH1A1 (0.52) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7608810 0.76 HSD17B10 (0.53) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7608855 0.76 PDE7A (0.48) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL31217501 0.76 TXNRD1 (0.63) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7607008 0.76 ITGB2 (0.42) PDE7AALDH1A1MAPT
SCHEMBL2590213 0.74 HSD17B10 (0.67) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL30780972 0.74 HSD17B10 (0.67) 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