Oxalic Acid

Oxalic Acid

SCHEMBL5201396

CS(=O)(=O)Nc1cccc(OCc2c[nH]cn2)c1.O=C(O)C(=O)O

nearest known ligand 0.47

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
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
FABP1 P07148 2/20 0.40
DHX9 Q08211 1/20 0.39
LMNA P02545 1/20 0.39
MET P08581 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL5206663 0.94 DRD2 (0.48) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL5201409 0.75 CYSLTR2 (0.33) SMN1; SMN2NPC1RAB9ACYSLTR2CYSLTR1
SCHEMBL7103193 0.75 PARP1 (0.48) DRD2DRD4DRD3SMN1; SMN2ALDH1A1
SCHEMBL7094939 0.74 AR (0.71) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL10752259 0.72 SMN1; SMN2 (0.55) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL5203660 0.70 DRD2 (0.41) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL4427549 0.70 KCNH2 (0.55) SMN1; SMN2NPC1RAB9ACYSLTR2CYSLTR1
SCHEMBL5201601 0.69 NISCH (0.56) DRD2DRD4DRD3
SCHEMBL5203659 0.69 DRD2 (0.47) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL10516601 0.69 DRD2 (0.52) DRD2DRD4DRD3SMN1; SMN2NPC1

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
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed