Oxalic Acid

Oxalic Acid

SCHEMBL28200797

BrNNc1ccccc1Br.O=C(O)C(=O)O

nearest known ligand 0.50

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
KMT2A Q03164 5/20 0.50
HTT P42858 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
EGFR P00533 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 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
SCHEMBL28200107 0.87 L3MBTL1 (0.45) KMT2AHTTLMNAMEN1RAB9A
Hydrochloric Acid SCHEMBL28856221 0.85 L3MBTL1 (0.43) KMT2AHTTLMNAMEN1RAB9A
Sulfuric Acid SCHEMBL28200149 0.84 KMT2A (0.42) KMT2AHTTLMNAMEN1RAB9A
Phosphoric Acid SCHEMBL28200695 0.84 HTT (0.42) KMT2AHTTLMNAMEN1RAB9A
Oxalic Acid SCHEMBL20984924 0.78 KMT2A (0.52) KMT2AHTTLMNAMEN1RAB9A
Oxalic Acid SCHEMBL28200792 0.77 ALDH1A1 (0.44) KMT2ALMNAMEN1RAB9ANPC1
SCHEMBL20984927 0.75 GAA (0.59) KMT2AHTTLMNAMEN1RAB9A
SCHEMBL9461863 0.75 HTT (0.53) KMT2AHTTLMNAMEN1RAB9A
SCHEMBL20605197 0.75 L3MBTL1 (0.50) KMT2AHTTLMNAMEN1RAB9A
SCHEMBL2097429 0.72 KMT2A (0.66) KMT2AHTTLMNAMEN1RAB9A

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