Oxalic Acid

Oxalic Acid

SCHEMBL29680719

CN(C)CCCNCc1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1.O=C(O)C(=O)O

nearest known ligand 0.45

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 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.45
TERT O14746 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
BPTF Q12830 2/20 0.38
BTK Q06187 2/20 0.38
JAK1 P23458 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 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
SCHEMBL29680804 0.94 TERT (0.41) PDK1TERTCCNA2CDK2BPTF
Oxalic Acid SCHEMBL29680236 0.82 AKT1 (0.46) PDK1JAK1KDM4EPDK2PDK3
Oxalic Acid SCHEMBL29680744 0.79 KDM4E (0.41) TERTCCNA2CDK2TMEM97SIGMAR1
Oxalic Acid SCHEMBL29680687 0.78 JAK1 (0.43) TERTCCNA2CDK2JAK1
Oxalic Acid SCHEMBL29680659 0.77 ATM (0.41) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL29680455 0.75 AKT1 (0.48) PDK1CDK2FLT3KDM4EPDK2
Oxalic Acid SCHEMBL29680599 0.73 TERT (0.40) TERTCCNA2CDK2KDM4E
SCHEMBL29680649 0.72 TMEM97 (0.43) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL24528635 0.71 BPTF (0.38) PDK1BPTFJAK1KDM4EPDK2
SCHEMBL29681028 0.71 BPTF (0.38) PDK1BPTFJAK1KDM4EPDK2

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