SCHEMBL8776065

SCHEMBL8776065

CC(CCC(c1ccccc1)c1cccnc1)N(O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
TBXAS1 P24557 1/20 0.52
EPHX2 P34913 4/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KCNA5 P22460 4/20 0.41
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL8775859 0.93 TBXAS1 (0.60) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775890 0.91 TBXAS1 (0.62) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775759 0.91 TBXAS1 (0.62) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775961 0.86 TBXAS1 (0.53) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775861 0.80 TBXAS1 (0.56) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775900 0.79 TBXAS1 (0.50) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775904 0.79 TBXAS1 (0.50) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775928 0.78 TBXAS1 (0.60) ALOX5TBXAS1EPHX2CYP2C9CYP2C19
SCHEMBL8775891 0.77 TBXAS1 (0.62) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8776036 0.76 ALOX5 (0.52) ALOX5TBXAS1LMNASMN1; SMN2HPGD

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