SCHEMBL8775940

SCHEMBL8775940

OCCCCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.71
EPHX2 P34913 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CFTR P13569 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GOPC Q9HD26 1/20 0.49
KCNA5 P22460 3/20 0.48
KCNH2 Q12809 2/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TBXA2R P21731 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL8775878 1.00 TBXAS1 (0.71) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775786 1.00 TBXAS1 (0.71) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775886 0.98 TBXAS1 (0.68) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL9030394 0.88 TBXAS1 (0.57) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8699682 0.86 TBXAS1 (0.60) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL5412370 0.84 HRH1 (0.56) TBXAS1CYP19A1HTR2AHRH1
SCHEMBL8775851 0.83 TBXAS1 (0.66) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL5410942 0.82 HRH1 (0.58) TBXAS1LMNACYP19A1HTR2AHRH1
SCHEMBL14288463 0.82 TBXAS1 (0.64) TBXAS1EPHX2SMN1; SMN2CFTRSLC6A2
SCHEMBL8775807 0.82 TBXAS1 (0.82) 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