SCHEMBL7608855

SCHEMBL7608855

O=[N+]([O-])c1ccc(-c2c(F)ccc(Sc3ccc(F)c(-c4ccc([N+](=O)[O-])cc4Cl)c3F)c2F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 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 3/20 0.43
HIF1A Q16665 1/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPBWR1 P48145 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL7608810 0.79 HSD17B10 (0.53) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7605577 0.79 HSD17B10 (0.53) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7607267 0.76 PDE7A (0.52) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL7605576 0.76 PDE7A (0.48) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL27581742 0.76 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL29535654 0.74 HSD17B10 (0.67) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL169304 0.74 HSD17B10 (0.67) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL19654571 0.74 HSD17B10 (0.67) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL7607866 0.74 PDE7A (0.52) PDE7APDE4BPDE4DPDE7BTXNRD1
SCHEMBL10405791 0.74 HSD17B10 (0.72) PDE7AHSD17B10ALDH1A1KMT2AMAPT

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