SCHEMBL5505286

SCHEMBL5505286

COc1nc(OC)nc(C(O)c2ccc(Cl)c(Cl)c2N)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2287015 0.84 CYP3A4 (0.31) ALDH1A1
SCHEMBL3752163 0.83 ITGB1 (0.33) GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2285873 0.81 GAA (0.30) GAAMAPT
SCHEMBL5506430 0.77 HDAC3 (0.31)
SCHEMBL4214474 0.74
SCHEMBL3741461 0.74 NPC1 (0.35) MAPT
SCHEMBL3741203 0.74
SCHEMBL2290977 0.71 EDNRB (0.33)
SCHEMBL2292898 0.71 TDO2 (0.31)
SCHEMBL2288906 0.69 NPC1 (0.31) ALDH1A1

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