SCHEMBL6569818

SCHEMBL6569818

Nc1ccccc1Sc1ccc(/C=C/C(=O)N2CCOCC2)c(Cl)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 16/20 0.73
ITGB2 P05107 14/20 0.73
ICAM1 P05362 14/20 0.73
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL6317727 1.00 ITGAL (0.73) ITGALITGB2ICAM1RAB9AKDM4E
SCHEMBL7641657 0.90 ITGAL (0.76) ITGALITGB2ICAM1RAB9AKDM4E
SCHEMBL6920036 0.90 ITGAL (0.76) ITGALITGB2ICAM1RAB9AKDM4E
SCHEMBL6493194 0.87 ITGAL (0.73) ITGALITGB2ICAM1RAB9AKDM4E
SCHEMBL6493588 0.87 ITGAL (0.73) ITGALITGB2ICAM1RAB9AKDM4E
SCHEMBL6568431 0.84 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL6310695 0.84 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL5196362 0.82 ITGB2 (0.72) ITGALITGB2ICAM1
SCHEMBL7645229 0.79 ITGAL (0.62) ITGALITGB2ICAM1
SCHEMBL6567852 0.78 ITGAL (0.61) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed