SCHEMBL8775906

SCHEMBL8775906

O=CCCCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.63
EPHX2 P34913 4/20 0.49
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KCNA5 P22460 5/20 0.42
KCNH2 Q12809 2/20 0.42
KCNN4 O15554 2/20 0.42
CYP19A1 P11511 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 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
SCHEMBL8775954 0.98 TBXAS1 (0.66) TBXAS1EPHX2CFTRSLC6A2SLC6A4
SCHEMBL8775915 0.98 TBXAS1 (0.66) TBXAS1EPHX2CFTRSLC6A2SLC6A4
SCHEMBL8775911 0.89 TBXAS1 (0.56) TBXAS1EPHX2CFTRSLC6A2SLC6A4
SCHEMBL27593435 0.84 HRH1 (0.50) TBXAS1KCNH2CYP19A1TBXA2RHTR2A
SCHEMBL8775802 0.81 TBXAS1 (0.56) TBXAS1EPHX2CFTRSLC6A2SLC6A4
SCHEMBL8775794 0.81 TBXAS1 (0.56) TBXAS1EPHX2CFTRSLC6A2SLC6A4
SCHEMBL7235720 0.80 HRH1 (0.54) KCNH2CYP19A1HTR2AHRH1
SCHEMBL14288463 0.80 TBXAS1 (0.64) TBXAS1EPHX2CFTRSLC6A2SLC6A4
SCHEMBL8775886 0.80 TBXAS1 (0.68) TBXAS1EPHX2CFTRSLC6A2SLC6A4
SCHEMBL8775847 0.79 CFTR (0.53) TBXAS1EPHX2CFTRSLC6A2SLC6A4

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