SCHEMBL8775839

SCHEMBL8775839

CC(O)c1cccc(CC(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.46
TBXAS1 P24557 1/20 0.43
NAMPT P43490 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
PDE4A P27815 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8776036 0.80 ALOX5 (0.52) KCNA5SMN1; SMN2TBXAS1LMNAHPGD
SCHEMBL8775894 0.77 SLC7A5 (0.55) KCNA5SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL8775843 0.77 SLC6A2 (0.46) KCNA5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL31570747 0.77 SLC6A2 (0.66) KCNA5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL884658 0.77 KCNA5 (0.47) KCNA5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2063857 0.77 KCNA5 (0.47) KCNA5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL884888 0.76 CYP1A2 (0.54) KCNA5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL177932 0.75
SCHEMBL4098469 0.75
SCHEMBL31080226 0.75

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