SCHEMBL8776035

SCHEMBL8776035

OC/C=C/CCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.57
EPHX2 P34913 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
KCNA5 P22460 4/20 0.43
KCNH2 Q12809 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8776041 1.00 TBXAS1 (0.57) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL10735288 0.83 TBXAS1 (0.61) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL10735286 0.83 TBXAS1 (0.61) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775969 0.82 TBXAS1 (0.53) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775966 0.82 TBXAS1 (0.53) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775794 0.82 TBXAS1 (0.56) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775802 0.82 TBXAS1 (0.56) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775886 0.80 TBXAS1 (0.68) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8776043 0.79 TBXAS1 (0.53) TBXAS1EPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8776038 0.79 TBXAS1 (0.53) 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