SCHEMBL8775841

SCHEMBL8775841

CC(O)CCC(c1ccccc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
SMN1; SMN2 Q16637 2/20 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
KDM4E B2RXH2 1/20 0.49
EPHX2 P34913 4/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNA5 P22460 3/20 0.48
GAA P10253 1/20 0.47
KCNH2 Q12809 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8775789 0.85 SMN1; SMN2 (0.58) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8775798 0.85 SMN1; SMN2 (0.58) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL27587669 0.84 HRH1 (0.50) SMN1; SMN2SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL8699682 0.81 TBXAS1 (0.60) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL23970158 0.81 TBXAS1 (0.56) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL9910965 0.78 TBXAS1 (0.61) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8775812 0.78 TBXAS1 (0.65) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8775969 0.77 TBXAS1 (0.53) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8775966 0.77 TBXAS1 (0.53) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL659775 0.77 CFTR (0.53) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4

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