SCHEMBL5501735

SCHEMBL5501735

COc1cc(OC)nc(C(O)Cc2ccc(F)cc2N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TDO2 P48775 1/20 0.32
HTR1A P08908 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 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
SCHEMBL5497135 0.78 NPC1 (0.35) EDNRBEDNRAHDAC1
SCHEMBL2283507 0.76 GAA (0.35) EDNRBEDNRAGAAHTTSMN1; SMN2
SCHEMBL5501730 0.74 EDNRB (0.36) EDNRBEDNRAGAAHTTSMN1; SMN2
SCHEMBL5499244 0.73 HSP90AA1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL2289151 0.71 EDNRB (0.33) EDNRBEDNRAGAA
SCHEMBL2286645 0.70 ALDH1A1 (0.34) EDNRBEDNRAGAAHTTSLC6A3
SCHEMBL2290050 0.69 EDNRB (0.32) EDNRBEDNRAGAA
SCHEMBL2286222 0.69 SLC6A3 (0.39) HTTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2284495 0.69 EDNRB (0.33) EDNRBEDNRAGAA
SCHEMBL2285593 0.67 EDNRB (0.32) EDNRBEDNRAGAA

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