Oxalic Acid

Oxalic Acid

SCHEMBL29680659

CN(C)CCCNCc1ccc(-n2ccc3c(-c4ccccc4)nc(Cl)nc32)cc1.O=C(O)C(=O)O

nearest known ligand 0.41

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
ATM Q13315 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ALOX15 P16050 1/20 0.37
CACNA1G O43497 4/20 0.37
TERT O14746 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
ALDH1A1 P00352 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1B Q00975 1/20 0.36
ABL1 P00519 1/20 0.35

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
Oxalic Acid SCHEMBL29680744 0.96 KDM4E (0.41) ATMKMT2AMEN1TMEM97SIGMAR1
SCHEMBL29680230 0.95 TMEM97 (0.43) ATMKMT2AMEN1TMEM97SIGMAR1
SCHEMBL29680649 0.92 TMEM97 (0.43) KMT2ATMEM97SIGMAR1KDM4EF7
Oxalic Acid SCHEMBL29680418 0.90 ATM (0.42) ATMKMT2AMEN1TMEM97SIGMAR1
Oxalic Acid SCHEMBL29680355 0.86 KDM4E (0.41) ATMKMT2AMEN1TMEM97SIGMAR1
Oxalic Acid SCHEMBL29680335 0.86 TERT (0.38) ATMKMT2AMEN1KDM4EGAA
SCHEMBL29680410 0.85 ALDH1A1 (0.42) ATMKMT2AMEN1TMEM97SIGMAR1
Oxalic Acid SCHEMBL29680370 0.84 AKT1 (0.46) KMT2AMEN1KDM4ECACNA1GHDAC1
Oxalic Acid SCHEMBL29680432 0.84 KDM4E (0.38) ATMKMT2AMEN1KDM4EGAA
SCHEMBL24528717 0.82 SIGMAR1 (0.38) ATMTMEM97SIGMAR1KDM4EALDH1A1

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-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP claimed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO claimed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed