SCHEMBL5505255

SCHEMBL5505255

COc1nc(OC)nc(C(O)Cc2cccc(Cl)c2N)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 1/20 0.31
BACE1 P56817 1/20 0.30
CCR4 P51679 1/20 0.30

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
SCHEMBL5499244 0.86 HSP90AA1 (0.35) HSP90AA1HSP90AB1
SCHEMBL5506440 0.85 ITGB1 (0.34) ITGB1ITGA4HSP90AA1HSP90AB1BACE1
SCHEMBL5504265 0.82 HTT (0.35) HSP90AA1
SCHEMBL5498729 0.81 NR4A2 (0.39) HSP90AA1
SCHEMBL3752163 0.77 ITGB1 (0.33) ITGB1ITGA4HSP90AA1HSP90AB1
SCHEMBL2286796 0.76 HTR6 (0.38) ITGB1ITGA4HSP90AA1HSP90AB1BACE1
SCHEMBL5498346 0.75 HSP90AA1 (0.33) ITGB1ITGA4HSP90AA1HSP90AB1BACE1
SCHEMBL5505254 0.74 ITGB1 (0.35) ITGB1ITGA4HSP90AA1HSP90AB1
SCHEMBL2287286 0.72 HSP90AA1 (0.33) ITGB1ITGA4HSP90AA1HSP90AB1
SCHEMBL2287144 0.72 CYP1A2 (0.37) ITGB1ITGA4HSP90AA1HSP90AB1

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
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed