SCHEMBL6530588

SCHEMBL6530588

O=C(NC1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C2(Cc2ccc(Br)cc2)C1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.44
ITGB2 P05107 12/20 0.44
ICAM1 P05362 12/20 0.44
DRD4 P21917 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DRD2 P14416 1/20 0.36

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
SCHEMBL6530585 1.00 ITGAL (0.44) ITGALITGB2ICAM1DRD4KMT2A
SCHEMBL6477737 0.94 ITGAL (0.43) ITGALITGB2ICAM1DRD4
SCHEMBL6478538 0.88 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL4848413 0.88 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL6479285 0.88 ITGAL (0.41) ITGALITGB2ICAM1
SCHEMBL4849098 0.81 ITGAL (0.48) ITGALITGB2ICAM1KMT2AMEN1
SCHEMBL14254718 0.81 ITGAL (0.48) ITGALITGB2ICAM1KMT2AMEN1
SCHEMBL4849061 0.81 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4840120 0.81 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4847894 0.81 ITGAL (0.52) 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
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed