SCHEMBL8775900

SCHEMBL8775900

CC(/C=C/CCCC(c1ccccc1)c1cccnc1)N(O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.50
ALOX5 P09917 3/20 0.44
EPHX2 P34913 4/20 0.42
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNA5 P22460 1/20 0.36

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
SCHEMBL8775904 1.00 TBXAS1 (0.50) TBXAS1ALOX5EPHX2CYP2C9CYP2C19
SCHEMBL8775859 0.82 TBXAS1 (0.60) TBXAS1ALOX5EPHX2CYP2C9CYP2C19
SCHEMBL8776038 0.81 TBXAS1 (0.53) TBXAS1ALOX5EPHX2CYP2C9CYP2C19
SCHEMBL8776043 0.81 TBXAS1 (0.53) TBXAS1ALOX5EPHX2CYP2C9CYP2C19
SCHEMBL8775759 0.81 TBXAS1 (0.62) TBXAS1ALOX5EPHX2CYP2C9CYP2C19
SCHEMBL8775890 0.81 TBXAS1 (0.62) TBXAS1ALOX5EPHX2CYP2C9CYP2C19
SCHEMBL8775969 0.81 TBXAS1 (0.53) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775966 0.81 TBXAS1 (0.53) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8776065 0.79 ALOX5 (0.52) TBXAS1ALOX5EPHX2CYP2C9CYP2C19
SCHEMBL10735288 0.77 TBXAS1 (0.61) TBXAS1EPHX2CYP2C9CYP2C19LMNA

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