SCHEMBL7301072

SCHEMBL7301072

NC(=NO)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.66
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
LMNA P02545 3/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 4/20 0.57
GAA P10253 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 2/20 0.56
MAOA P21397 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL19478844 0.86 ALOX5 (0.59) PARP10NR4A1NR4A2NR4A3LMNA
SCHEMBL17654556 0.86 ALOX5 (0.59) PARP10NR4A1NR4A2NR4A3LMNA
SCHEMBL16697343 0.84 NR4A2 (0.60) PARP10NR4A2LMNAMAOBGAA
SCHEMBL16697339 0.84 NR4A2 (0.60) PARP10NR4A2LMNAMAOBGAA
SCHEMBL7301228 0.83 RXRA (0.66) NR4A2MAOBMAOAF2
SCHEMBL22265565 0.83 RAB9A (0.65) PARP10LMNAGAARAB9AMAPT
SCHEMBL7296147 0.83 RAB9A (0.65) PARP10LMNAGAARAB9AMAPT
SCHEMBL8378348 0.82 F2 (0.51) PARP10NR4A2MAOBGAARAB9A
SCHEMBL8378347 0.82 F2 (0.51) PARP10NR4A2MAOBGAARAB9A
SCHEMBL9395985 0.80 MAOB (0.66) PARP10NR4A1NR4A2NR4A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP claimed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP claimed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed