Oxalic Acid

Oxalic Acid

SCHEMBL29680295

CN1CCN(CCCNCc2ccc(-c3nc(-c4ccc(CNCCCN5CCN(C)CC5)cc4)c4ccn(C)c4n3)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.46

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
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
KMT2A Q03164 4/20 0.41
RAD52 P43351 3/20 0.41
MEN1 O00255 3/20 0.41
HDAC1 Q13547 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
TLR9 Q9NR96 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
ACKR3 P25106 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL29680354 0.94 AKT1 (0.48) AKT1AKT2KMT2ARAD52MEN1
Oxalic Acid SCHEMBL29680443 0.89 AKT1 (0.46) AKT1AKT2KMT2ARAD52MEN1
Oxalic Acid SCHEMBL31735151 0.85 AKT1 (0.45) AKT1AKT2KMT2ARAD52MEN1
SCHEMBL29680888 0.84 AKT1 (0.49) AKT1AKT2RAD52HDAC1TLR9
Oxalic Acid SCHEMBL29680599 0.83 TERT (0.40) KMT2ARAD52MEN1HDAC1PIK3CA
Oxalic Acid SCHEMBL31735159 0.82 AKT1 (0.46) AKT1AKT2KMT2ARAD52MEN1
Oxalic Acid SCHEMBL29680369 0.82 KDM5B (0.51) AKT1AKT2PIK3CAMTORKDM5B
Oxalic Acid SCHEMBL29680612 0.80 AKT1 (0.46) AKT1AKT2KMT2ARAD52MEN1
SCHEMBL29680577 0.79 AKT1 (0.47) AKT1AKT2KMT2ARAD52MEN1
Oxalic Acid SCHEMBL29680414 0.78 DPP7 (0.38) KMT2AMEN1KDM4EALDH1A1S1PR2

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