Oxalic Acid

Oxalic Acid

SCHEMBL29680780

CN(C)CCCNCc1ccc(-c2cc(Cl)nc3c2ccn3-c2ccccc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.42

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
BCHE P06276 5/20 0.42
ACHE P22303 4/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
TERT O14746 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL29680600 0.95 TMEM97 (0.43) BCHEACHEKDM4ETMEM97SIGMAR1
Oxalic Acid SCHEMBL29680744 0.85 KDM4E (0.41) BCHEACHEKDM4EALDH1A1TMEM97
Oxalic Acid SCHEMBL29680355 0.82 KDM4E (0.41) KDM4EALDH1A1TMEM97SIGMAR1MEN1
Oxalic Acid SCHEMBL29680659 0.81 ATM (0.41) BCHEACHEKDM4EALDH1A1TMEM97
SCHEMBL29680649 0.80 TMEM97 (0.43) KDM4EALDH1A1TMEM97SIGMAR1KMT2A
Oxalic Acid SCHEMBL29680418 0.79 ATM (0.42) KDM4EALDH1A1TMEM97SIGMAR1MEN1
Oxalic Acid SCHEMBL29680335 0.78 TERT (0.38) KDM4EALDH1A1MEN1KMT2AATM
Oxalic Acid SCHEMBL29680556 0.77 MOK (0.40) BCHEACHEKDM4EALDH1A1TERT
SCHEMBL29680618 0.77 RAD52 (0.40) KDM4EALDH1A1TMEM97SIGMAR1KMT2A
SCHEMBL29680230 0.76 TMEM97 (0.43) KDM4EALDH1A1TMEM97SIGMAR1MEN1

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