SCHEMBL6497005

SCHEMBL6497005

CSCCC(NC(=O)C1CCN(C(=O)/C=C/c2ccc(SC)c(Cl)c2Cl)CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.50
ICAM1 P05362 6/20 0.50
ITGAL P20701 6/20 0.50
KMT2A Q03164 4/20 0.45
CAPN1 P07384 4/20 0.45
MEN1 O00255 2/20 0.42
UBE2N P61088 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6497008 1.00 ITGB2 (0.50) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL8297179 1.00 ITGB2 (0.50) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL8298602 0.92 ITGAL (0.51) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL6497397 0.92 ITGAL (0.51) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL6497403 0.92 ITGAL (0.51) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL6503495 0.92 ITGAL (0.49) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL6503498 0.92 ITGAL (0.49) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL8297244 0.92 ITGAL (0.49) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL8296124 0.91 ITGAL (0.50) ITGB2ICAM1ITGALKMT2ACAPN1
SCHEMBL6497395 0.91 ITGAL (0.50) ITGB2ICAM1ITGALKMT2ACAPN1

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed