SCHEMBL8475145

SCHEMBL8475145

O=c1c(CSn2ccnc2)c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CYP19A1 P11511 8/20 0.41
CLK1 P49759 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B2 P19099 1/20 0.39
PARP1 P09874 1/20 0.35
QPCT Q16769 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL6537609 0.77 DNA2 (0.55) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL6538006 0.74 DNA2 (0.68) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL6537663 0.73 DNA2 (0.59) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL6537400 0.70 DNA2 (0.55) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL6537611 0.70 DNA2 (0.55) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL6537636 0.69 DNA2 (0.53) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL8472516 0.68 DNA2 (0.52) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL28964528 0.67 DNA2 (0.53) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL2537517 0.67 MPO (0.59) DNA2CASP6CTDSP1CLK1GSK3B
SCHEMBL6538378 0.66 DNA2 (0.63) DNA2CASP6CTDSP1CLK1GSK3B

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-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed