SCHEMBL7607907

SCHEMBL7607907

O=[N+]([O-])c1ccc(-c2cccc(Sc3cccc(-c4ccc([N+](=O)[O-])cc4Cl)c3Cl)c2Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.55
HSD17B10 Q99714 1/20 0.49
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
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
PTPRC P08575 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
S100A4 P26447 1/20 0.43
LMNA P02545 3/20 0.42

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
SCHEMBL10405791 0.80 HSD17B10 (0.72) PDE7AHSD17B10ALDH1A1KMT2AMAPT
SCHEMBL7606457 0.80 PDE7A (0.44) PDE7ATXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL7605577 0.79 HSD17B10 (0.53) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL7608810 0.77 HSD17B10 (0.53) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL27581742 0.76 PDE7A (0.75) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL7607910 0.75 PDE7A (0.78) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL14744521 0.74 MAPT (0.53) PDE7AHSD17B10ALDH1A1KMT2AMAPT
SCHEMBL14746480 0.74 HSD17B10 (0.53) PDE7AHSD17B10ALDH1A1KMT2AMAPT
SCHEMBL7605376 0.73 ALDH1A1 (0.46) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL7633888 0.73 PDE7A (0.45) PDE7AHSD17B10PDE4BPDE4DPDE7B

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