SCHEMBL5499243

SCHEMBL5499243

COc1cc(OC)nc(C(CO)c2cccc(Cl)c2N)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5503157 0.88 HSP90AA1 (0.36) CTSAHSP90AA1HSP90AB1NPC1ALDH1A1
SCHEMBL5505434 0.86 HSP90AA1 (0.34) CTSAHSP90AA1HSP90AB1NPC1ALDH1A1
SCHEMBL5505254 0.86 ITGB1 (0.35) CTSAHSP90AA1HSP90AB1PDCD1LG2CD274
SCHEMBL5497132 0.85 EDNRB (0.37) CTSANPC1ALDH1A1RAB9A
SCHEMBL5498727 0.83 NR4A2 (0.39) CTSAHSP90AA1ALDH1A1
SCHEMBL2292233 0.83 HSP90AA1 (0.37) CTSAHSP90AA1HSP90AB1KCNJ5KCNJ3
SCHEMBL2286121 0.81 HSP90AA1 (0.38) CTSAHSP90AA1HSP90AB1NPC1ALDH1A1
SCHEMBL2286974 0.81 HSP90AA1 (0.41) CTSAHSP90AA1HSP90AB1NPC1ALDH1A1
SCHEMBL5504262 0.81 CTSA (0.33) CTSAHSP90AA1NPC1ALDH1A1
SCHEMBL2286995 0.80 HSP90AA1 (0.37) CTSAHSP90AA1HSP90AB1NPC1ALDH1A1

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