SCHEMBL7606524

SCHEMBL7606524

O=[N+]([O-])c1ccc(-c2c(Cl)ccc(Sc3ccc(Cl)c(-c4ccc([N+](=O)[O-])cc4Br)c3Cl)c2Cl)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 11/20 0.54
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE7B Q9NP56 3/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
NPBWR1 P48145 1/20 0.39
VCAM1 P19320 1/20 0.39
LMNA P02545 1/20 0.38
PTPRC P08575 1/20 0.37
S100A4 P26447 1/20 0.37
ALDH1A1 P00352 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) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL7605576 0.84 PDE7A (0.48) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL7610000 0.81 PDE7A (0.49) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL7641380 0.77 ALDH1A1 (0.52) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL7608810 0.76 HSD17B10 (0.53) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL31118438 0.74 HSD17B10 (0.67) PDE7AHSD17B10VCAM1LMNAPTPRC
SCHEMBL899840 0.74 HSD17B10 (0.67) PDE7AHSD17B10VCAM1LMNAPTPRC
SCHEMBL11050883 0.74 PTPRC (0.57) HSD17B10NPBWR1LMNAPTPRCS100A4
SCHEMBL7606527 0.73 PDE7A (0.70) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL7610112 0.73 ALDH1A1 (0.43) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10

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