SCHEMBL7605577

SCHEMBL7605577

O=[N+]([O-])c1ccc(-c2c(Cl)ccc(Sc3ccc(Cl)c(-c4ccc([N+](=O)[O-])cc4Cl)c3Cl)c2Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
PDE7A Q13946 8/20 0.51
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE7B Q9NP56 1/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
VCAM1 P19320 1/20 0.42
USP2 O75604 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPRC P08575 1/20 0.40

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 0.88 HSD17B10 (0.53) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7606524 0.87 PDE7A (0.54) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7605576 0.87 PDE7A (0.48) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7633888 0.84 PDE7A (0.45) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7605376 0.84 ALDH1A1 (0.46) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7610000 0.84 PDE7A (0.49) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7641380 0.83 ALDH1A1 (0.52) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7605602 0.80 MAPT (0.52) PDE7AALDH1A1KMT2AMAPTMEN1
SCHEMBL7610947 0.79 HSD17B10 (0.49) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL7607907 0.79 PDE7A (0.55) HSD17B10PDE7APDE4BPDE4DPDE7B

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