SCHEMBL7607267

SCHEMBL7607267

Cc1ccc(Sc2ccc(C)c(-c3ccc([N+](=O)[O-])cc3Cl)c2C)c(C)c1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.52
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE7B Q9NP56 1/20 0.49
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.45
CYP3A4 P08684 2/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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 0.79 HSD17B10 (0.53) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7608810 0.79 HSD17B10 (0.53) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7608855 0.76 PDE7A (0.48) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL27581742 0.76 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BLMNA
Hydrochloric Acid SCHEMBL7605526 0.76 CYP3A4 (0.50) PDE7ATSHRCYP3A4ALDH1A1KMT2A
SCHEMBL7633888 0.75 PDE7A (0.45) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7605376 0.75 ALDH1A1 (0.46) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL7605602 0.74 MAPT (0.52) PDE7ALMNATSHRCYP3A4ALDH1A1
Methylamine SCHEMBL11821451 0.74 ALDH1A1 (0.62) PDE7APDE4BPDE4DPDE7BTSHR
SCHEMBL431298 0.74 ALDH1A1 (0.67) PDE7APDE4BPDE4DPDE7BTSHR

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