SCHEMBL8775867

SCHEMBL8775867

NC(=S)N(O)CCCCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.57
EPHX2 P34913 4/20 0.43
SIGMAR1 Q99720 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GOPC Q9HD26 1/20 0.39
KCNA5 P22460 2/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
TBXA2R P21731 1/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 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
SCHEMBL8775780 0.88 TBXAS1 (0.64) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8775884 0.88 TBXAS1 (0.64) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8776095 0.88 TBXAS1 (0.64) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8775863 0.88 TBXAS1 (0.64) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8775891 0.86 TBXAS1 (0.62) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8775932 0.83 TBXAS1 (0.53) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8775928 0.82 TBXAS1 (0.60) TBXAS1EPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8775837 0.82 TBXAS1 (0.51) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8776092 0.78 TBXAS1 (0.58) TBXAS1EPHX2SIGMAR1SMN1; SMN2CYP2C9
SCHEMBL8775940 0.77 TBXAS1 (0.71) TBXAS1EPHX2SMN1; SMN2CYP2C9CYP2C19

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