SCHEMBL5501730

SCHEMBL5501730

COc1cc(OC)nc(C(CO)c2ccc(F)cc2N)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
CTSA P10619 1/20 0.33
GAA P10253 1/20 0.33
KEAP1 Q14145 1/20 0.33
DHPS P49366 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2289151 0.80 EDNRB (0.33) EDNRBEDNRAGAANPC1ALDH1A1
SCHEMBL5497132 0.78 EDNRB (0.37) EDNRBEDNRACTSANPC1ALDH1A1
SCHEMBL2290050 0.77 EDNRB (0.32) EDNRBEDNRAGAANPC1ALDH1A1
SCHEMBL2283507 0.76 GAA (0.35) EDNRBEDNRACTSAGAADHPS
SCHEMBL2286645 0.75 ALDH1A1 (0.34) EDNRBEDNRACTSAGAAHTT
SCHEMBL2289419 0.74 HTT (0.32) HTTSMN1; SMN2ALDH1A1
SCHEMBL5501735 0.74 EDNRB (0.34) EDNRBEDNRAGAADHPSHTT
SCHEMBL2286202 0.73 ALDH1A1 (0.33) HTTALDH1A1
SCHEMBL5499243 0.73 CTSA (0.36) CTSANPC1ALDH1A1RAB9A
SCHEMBL2284495 0.71 EDNRB (0.33) EDNRBEDNRAGAANPC1ALDH1A1

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