SCHEMBL8699682

SCHEMBL8699682

OCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
CFTR P13569 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
GOPC Q9HD26 1/20 0.55
KCNA5 P22460 5/20 0.53
KCNH2 Q12809 2/20 0.53
EPHX2 P34913 4/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
KCNN4 O15554 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8775886 0.88 TBXAS1 (0.68) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8775878 0.86 TBXAS1 (0.71) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8775940 0.86 TBXAS1 (0.71) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8775786 0.86 TBXAS1 (0.71) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL9312882 0.85 TBXAS1 (0.50) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL9311629 0.85 TBXAS1 (0.47) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL9874670 0.82 SLC6A2 (0.57) TBXAS1SLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL8775789 0.82 SMN1; SMN2 (0.58) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL128570 0.82 HRH1 (0.56) SMN1; SMN2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL23970158 0.81 TBXAS1 (0.56) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
EP-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed