SCHEMBL10935596

SCHEMBL10935596

O=[N+]([O-])c1ccc(OCCCS(=O)(=O)O)cc1.[KH]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
MAPT P10636 4/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KCNH2 Q12809 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11753531 0.98 DRD2 (0.52) DRD2DRD4DRD3MAPTCRHBP
Potassium Ion SCHEMBL10935610 0.97 DRD2 (0.51) DRD2DRD4DRD3MAPTCRHBP
SCHEMBL28771827 0.87 KCNH2 (0.56) DRD2DRD4DRD3MAPTKCNH2
SCHEMBL4872642 0.83 ALDH1A1 (0.54) MAPTL3MBTL1CA1CA2CA9
SCHEMBL30603857 0.83 DRD2 (0.52) DRD2DRD4DRD3MAPTCRHBP
SCHEMBL10935809 0.83 DRD2 (0.52) DRD2DRD4DRD3MAPTCRHBP
Potassium Ion SCHEMBL10935600 0.83 DRD2 (0.52) DRD2DRD4DRD3MAPTCRHBP
SCHEMBL9570575 0.81 DRD2 (0.65) DRD2DRD4DRD3MAPTCRHBP
SCHEMBL5583900 0.81 ALDH1A1 (0.53) MAPTL3MBTL1CA1CA2CA9
SCHEMBL10578547 0.81 CHRNB2 (0.58) MAPTALDH1A1KMT2A

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
US-4493885-A DIFFUSION TRANSFER FUJI PHOTO FILM CO., LTD. (JP) 1985-01-15 US disclosed