SCHEMBL8775928

SCHEMBL8775928

NC(=O)N(O)CCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.60
EPHX2 P34913 4/20 0.50
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 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
SCHEMBL8775891 0.96 TBXAS1 (0.62) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775863 0.95 TBXAS1 (0.64) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775780 0.95 TBXAS1 (0.64) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8776095 0.95 TBXAS1 (0.64) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775884 0.95 TBXAS1 (0.64) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775861 0.92 TBXAS1 (0.56) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775772 0.92 TBXAS1 (0.51) TBXAS1EPHX2CYP2C9CYP2C19GRM8
SCHEMBL8775850 0.89 TBXAS1 (0.48) TBXAS1EPHX2LMNASMN1; SMN2HPGD
SCHEMBL8775800 0.87 TBXAS1 (0.46) TBXAS1EPHX2GRM8GRM4KCNA5
SCHEMBL8775778 0.84 KCNA5 (0.44) TBXAS1EPHX2KCNA5

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