Oxalic Acid

Oxalic Acid

SCHEMBL29680443

CN1CCN(CCCNCc2ccc(-c3nc(-c4ccc(CNCCCN5CCN(C)CC5)cc4)c4ccn(-c5ccccc5)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
RAD52 P43351 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 1/20 0.41
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
ACKR3 P25106 1/20 0.38
CACNA1G O43497 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
POLB P06746 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
SCHEMBL29680888 0.96 AKT1 (0.49) AKT1AKT2RAD52HDAC1TLR9
Oxalic Acid SCHEMBL29680612 0.91 AKT1 (0.46) AKT1AKT2RAD52MEN1KMT2A
Oxalic Acid SCHEMBL29680295 0.89 AKT1 (0.46) AKT1AKT2RAD52MEN1KMT2A
Oxalic Acid SCHEMBL29680370 0.87 AKT1 (0.46) AKT1AKT2RAD52MEN1KMT2A
SCHEMBL29680730 0.86 AKT1 (0.49) AKT1AKT2RAD52CACNA1G
Oxalic Acid SCHEMBL29680770 0.86 AKT1 (0.35) AKT1AKT2KMT2AHDAC1TLR9
Oxalic Acid SCHEMBL29680369 0.84 KDM5B (0.51) AKT1AKT2KDM5BMAPTPIK3CA
Oxalic Acid SCHEMBL29680355 0.84 KDM4E (0.41) RAD52MEN1KMT2AHDAC1KDM4E
SCHEMBL29680354 0.84 AKT1 (0.48) AKT1AKT2RAD52MEN1KMT2A
SCHEMBL29680827 0.82 AKT1 (0.49) AKT1AKT2RAD52CACNA1G

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