SCHEMBL8917658

SCHEMBL8917658

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.54
CASP6 P55212 1/20 0.49
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
FBP1 P09467 2/20 0.43
HCAR3 P49019 5/20 0.42
TPMT P51580 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 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
SCHEMBL8920283 0.83 XDH (0.47) APEX1LMNAALDH1A1MEN1KMT2A
SCHEMBL11803755 0.79 CASP6 (0.62) APEX1CASP6TSHRLMNAHCAR3
SCHEMBL3009122 0.76 APEX1 (0.50) APEX1CASP6TSHRLMNAFBP1
SCHEMBL1144962 0.75 MEN1 (0.41) TPMTALDH1A1MEN1KMT2AGRIK1
SCHEMBL30856079 0.73 MAOA (0.45) APEX1CASP6ALDH1A1MEN1KMT2A
SCHEMBL30848955 0.73 APEX1 (0.44) APEX1CASP6TSHRLMNAFBP1
SCHEMBL8919196 0.73 CA12 (0.50) TSHRLMNATPMTALDH1A1
SCHEMBL8921146 0.73 DAO (0.41) ALDH1A1MEN1KMT2A
SCHEMBL16714067 0.73 CASP6 (0.55) APEX1CASP6TSHRLMNAHCAR3
SCHEMBL8960516 0.72 CASP6 (0.64) APEX1CASP6TSHRLMNAHCAR3

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