SCHEMBL8775911

SCHEMBL8775911

O=CCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
CFTR P13569 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GOPC Q9HD26 1/20 0.50
EPHX2 P34913 4/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KCNA5 P22460 5/20 0.45
KCNH2 Q12809 2/20 0.45
KCNN4 O15554 2/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8775906 0.89 TBXAS1 (0.63) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8775915 0.88 TBXAS1 (0.66) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8775954 0.88 TBXAS1 (0.66) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6256116 0.84 SLC6A3 (0.52) TBXAS1SLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL7235718 0.84 HRH1 (0.50) SLC6A2SLC6A4SLC6A3EPHX2CYP2C19
SCHEMBL8775873 0.83 TBXAS1 (0.52) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8775847 0.83 CFTR (0.53) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8775802 0.79 TBXAS1 (0.56) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8775794 0.79 TBXAS1 (0.56) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL27420791 0.79 CFTR (0.49) TBXAS1CFTRSLC6A2SLC6A4SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed