Oxalic Acid

Oxalic Acid

SCHEMBL28200075

N#CNNc1cccc(C#N)c1.O=C(O)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNA5 P22460 1/20 0.48
GRM4 Q14833 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP7 P55210 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL28200178 0.90 MAPT (0.50) MAPTKMT2AALDH1A1MEN1HTT
Sulfuric Acid SCHEMBL28200120 0.87 MAPT (0.49) MAPTKMT2AALDH1A1MEN1HTT
Phosphoric Acid SCHEMBL28200694 0.87 KCNA5 (0.51) MAPTKMT2AALDH1A1MEN1HTT
Oxalic Acid SCHEMBL20984276 0.80 MAPT (0.55) MAPTKMT2AALDH1A1MEN1HTT
Oxalic Acid SCHEMBL20984274 0.80 MAPT (0.55) MAPTKMT2AALDH1A1MEN1HTT
Oxalic Acid SCHEMBL28200758 0.80 MAPT (0.46) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL28378797 0.78 MAPT (0.57) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL11607569 0.77 PTPN11 (0.71) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL4901069 0.76 MAPT (0.68) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL14042535 0.75 MAPT (0.58) MAPTKMT2AALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed