SCHEMBL9637296

SCHEMBL9637296

O=S(=O)(O)c1nc2c(c(-c3ccccc3)cc3ncccc32)c(-c2ccccc2)c1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.35
CKS1B P61024 4/20 0.35
SKP2 Q13309 4/20 0.35
GLO1 Q04760 2/20 0.35
DHODH Q02127 3/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
MMP2 P08253 1/20 0.33
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RCE1 Q9Y256 1/20 0.33
COMT P21964 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2525466 0.85 KDM4E (0.38) TOP1CKS1BSKP2GLO1MMP2
SCHEMBL4356640 0.76 TOP1 (0.41) TOP1HPGDTOP2AALDH1A1MEN1
SCHEMBL10948806 0.75 LMNA (0.41) TOP1DHODHLMNA
SCHEMBL597833 0.72 TOP2A (0.40) CKS1BSKP2GLO1MMP2TOP2A
SCHEMBL870765 0.72 TOP2A (0.40) CKS1BSKP2GLO1MMP2TOP2A
SCHEMBL7873518 0.71 TOP2A (0.39) CKS1BSKP2GLO1MMP2TOP2A
SCHEMBL6037850 0.71 TOP2A (0.39) CKS1BSKP2GLO1MMP2TOP2A
SCHEMBL27805381 0.71 TOP2A (0.39) CKS1BSKP2GLO1MMP2TOP2A
Water SCHEMBL8819292 0.70 TOP2A (0.38) CKS1BSKP2GLO1MMP2TOP2A
SCHEMBL29026621 0.70 TOP2A (0.38) CKS1BSKP2GLO1MMP2TOP2A

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
EP-0255534-B1 BINDING ASSAY AND ASSAY REAGENT CELLTECH LIMITED (GB) 1992-04-08 EP disclosed
EP-0255534-A1 BINDING ASSAY AND ASSAY REAGENT. DAVIDSON ROBERT STEPHEN 1988-02-10 EP disclosed
WO-1987004523-A1 BINDING ASSAY AND ASSAY REAGENT DAVIDSON ROBERT STEPHEN 1987-07-30 WO disclosed