SCHEMBL27720229

SCHEMBL27720229

O=c1nc(S(=O)(=O)O)c(O)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.34

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
SCHEMBL4512381 0.73
SCHEMBL65897 0.70
SCHEMBL4342803 0.65 MAT2A (0.36) GAA
Flucytosine SCHEMBL3863945 0.63 ALDH1A1 (0.31)
Sulfuric Acid SCHEMBL28173989 0.63 ATAD2 (0.31)
SCHEMBL27533747 0.61
SCHEMBL17077972 0.58 GRIA1 (0.33)
Hydrochloric Acid SCHEMBL27833004 0.58 GAA (0.32) HSD17B10GAA
SCHEMBL3634528 0.57 CA5A (0.36) CYP1A2CYP2C19HSD17B10
SCHEMBL4970668 0.57 CA2 (0.33) CYP1A2CYP2C19HSD17B10

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
CN-101268074-B 5-amino-4-hydroxy-7- (imidazo [1,2-A] pyridin-6- ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension SPEEDEL EXPERIMENTA AG 2011-09-21 CN disclosed
CN-101268074-A 5-amino-4-hydroxy-7- (imidazo [1,2-A] pyridin-6- ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension SPEEDEL EXPERIMENTA AG (CH) 2008-09-17 CN disclosed
CN-101171230-A Heterocyclic-substituted alkanamides useful as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2008-04-30 CN disclosed