SCHEMBL10935809

SCHEMBL10935809

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
KCNH2 Q12809 4/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LTA4H P09960 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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 0.84 DRD2 (0.52) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL30603857 0.84 DRD2 (0.52) DRD2DRD4DRD3HRH3KCNH2
Potassium Ion SCHEMBL10935600 0.84 DRD2 (0.52) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10935596 0.83 DRD2 (0.51) DRD2DRD4DRD3HRH3KCNH2
Potassium Ion SCHEMBL10935610 0.83 DRD2 (0.51) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9570575 0.82 DRD2 (0.65) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9652076 0.81 KCNH2 (0.53) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL2974984 0.81 DRD2 (0.59) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10554981 0.81 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL5390369 0.81 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2

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 2 patents. 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
US-4046573-A COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JA) 1977-09-06 US disclosed