SCHEMBL14566293

SCHEMBL14566293

C[C@@]1(Cc2ccc(N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)O)n21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.68
ICAM1 P05362 20/20 0.68
ITGAL P20701 20/20 0.68

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
SCHEMBL14566227 0.91 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL13688338 0.91 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL13817169 0.90 ITGB2 (0.84) ITGB2ICAM1ITGAL
SCHEMBL4461725 0.90 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL5990711 0.90 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL4473133 0.89 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL4473130 0.89 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL4475131 0.88 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4475134 0.88 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4472042 0.86 ITGB2 (0.60) ITGB2ICAM1ITGAL

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
WO-2007027233-A2 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONIC ACID BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2007-03-08 WO disclosed