SCHEMBL7606463

SCHEMBL7606463

O=[N+]([O-])c1ccc(Sc2ccccc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.67
LMNA P02545 4/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
PDE7B Q9NP56 2/20 0.55
PDE4B Q07343 1/20 0.55
PDE4D Q08499 1/20 0.55
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.51
DHFR P00374 1/20 0.48
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7615020 0.87 PDE7A (0.55) PDE7ALMNAKMT2ATDP1PDE7B
SCHEMBL7607910 0.81 PDE7A (0.78) PDE7ALMNAKMT2ATDP1PDE7B
SCHEMBL23407733 0.80 PDE7A (0.68) PDE7AKMT2APDE7BPDE4BPDE4D
SCHEMBL8308859 0.80 PDE7A (1.00) PDE7ALMNAKMT2ATDP1PDE7B
SCHEMBL9629212 0.80 PDE7A (0.56) PDE7ALMNAKMT2ATDP1PDE7B
SCHEMBL2418894 0.79 SMN1; SMN2 (0.52) PDE7ALMNAKMT2ATDP1MAPT
SCHEMBL10924733 0.79 PDE7A (0.63) PDE7ALMNAKMT2ATDP1PDE7B
SCHEMBL20379380 0.79 MAPT (0.52) PDE7ALMNAKMT2AMAPTSMN1; SMN2
SCHEMBL29881314 0.79 PDE7A (0.61) PDE7ALMNAKMT2APDE7BMAPT
SCHEMBL20379425 0.79 PDE7A (0.61) PDE7ALMNAKMT2APDE7BMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541141-A 2002-12-03 JP claimed
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 EP claimed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 WO claimed