SCHEMBL8920283

SCHEMBL8920283

COC(=O)c1cc([N+](=O)[O-])c2[nH]c(=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
VCAM1 P19320 1/20 0.47
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
APEX1 P27695 1/20 0.40
CHEK1 O14757 1/20 0.40
MET P08581 1/20 0.40
GSK3B P49841 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL8917658 0.83 APEX1 (0.54) XDHMEN1KMT2AALDH1A1APEX1
SCHEMBL28358900 0.81 XDH (0.49) XDHVCAM1MAPTKDM4EMEN1
SCHEMBL28358895 0.81 VCAM1 (0.49) XDHVCAM1MAPTKDM4EMEN1
SCHEMBL30849028 0.73 XDH (0.45) XDHVCAM1MAPTMEN1KMT2A
SCHEMBL5924211 0.72 ESR1 (0.57) XDHVCAM1MAPTKDM4EMEN1
SCHEMBL989006 0.72 VCAM1 (0.56) VCAM1MAPTKDM4EMEN1KMT2A
SCHEMBL5734347 0.70 VCAM1 (0.68) VCAM1MAPTKDM4EMEN1KMT2A
SCHEMBL5216905 0.70 TPMT (0.64) VCAM1MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9064842 0.70 ESR1 (0.56) XDHVCAM1MAPTKDM4EMEN1
SCHEMBL19071923 0.70 VCAM1 (0.55) XDHVCAM1MAPTKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
CN-1102527-A Piperazinocarbonylcarbostyrils as peripheral vasodilators OTSUKA PHARMA CO LTD (JP) 1995-05-10 CN disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed