SCHEMBL5544385

SCHEMBL5544385

O=C1Cc2cc([N+](=O)[O-])ccc2C[N]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TLR9 Q9NR96 1/20 0.47
PNMT P11086 7/20 0.44
ADRA2A P08913 5/20 0.44
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
PARP1 P09874 1/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL1785799 0.77 TDP2 (0.56) TDP2MEN1KMT2ALMNAMAPT
Ammonia Solution, Strong SCHEMBL27905491 0.76 LMNA (0.62) TDP2MEN1KMT2ALMNAMAPT
SCHEMBL2616914 0.72 TDP2 (0.73) TDP2MEN1KMT2ALMNAMAPT
SCHEMBL1870205 0.72 PNMT (0.54) TDP2MEN1KMT2ALMNAMAPT
SCHEMBL30049268 0.72 TLR9 (0.79) TDP2MEN1KMT2ALMNAMAPT
SCHEMBL987760 0.72 TLR9 (0.79) TDP2MEN1KMT2ALMNAMAPT
SCHEMBL5548723 0.72 MAPT (0.40) TDP2MEN1KMT2ALMNAMAPT
SCHEMBL28046038 0.71 MAPT (0.49) TDP2MEN1KMT2ALMNAMAPT
Phosphonic Acid SCHEMBL28853711 0.70 TLR9 (0.56) TDP2MEN1KMT2ALMNAMAPT
SCHEMBL30709850 0.70 PNMT (0.65) TDP2MEN1KMT2ALMNAMAPT

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
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed