SCHEMBL5497683

SCHEMBL5497683

COc1cc(OC)nc(C(Cc2cccc(Cl)c2N)SC)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 2/20 0.34
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
CASR P41180 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
SCHEMBL5501408 0.84 NR4A2 (0.38) HSP90AA1ALDH1A1
SCHEMBL5503160 0.84 HSP90AA1 (0.36) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1
SCHEMBL5499244 0.82 HSP90AA1 (0.35) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1
SCHEMBL2287006 0.76 HSP90AA1 (0.36) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1
SCHEMBL2288462 0.75 PDE2A (0.42) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1
SCHEMBL5505434 0.74 HSP90AA1 (0.34) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1
SCHEMBL5501324 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1
SCHEMBL2286121 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1
SCHEMBL5498826 0.72 NPC1 (0.30) NPC1RAB9A
SCHEMBL2286974 0.71 HSP90AA1 (0.41) HSP90AA1HSP90AB1NPSR1NPC1ALDH1A1

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