Oxalic Acid

Oxalic Acid

SCHEMBL29680744

CN(C)CCCNCc1ccc(-c2nc(Cl)nc3c2ccn3-c2ccccc2)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
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
ALOX15 P16050 1/20 0.37
TERT O14746 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HDAC1 Q13547 1/20 0.35
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
CACNA2D1 P54289 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 SCHEMBL29680659 0.96 ATM (0.41) KDM4EGAATMEM97SIGMAR1KMT2A
SCHEMBL29680649 0.95 TMEM97 (0.43) KDM4ETMEM97SIGMAR1KMT2AF7
SCHEMBL29680230 0.92 TMEM97 (0.43) KDM4ETMEM97SIGMAR1KMT2AMEN1
Oxalic Acid SCHEMBL29680355 0.90 KDM4E (0.41) KDM4EGAATMEM97SIGMAR1KMT2A
Oxalic Acid SCHEMBL29680418 0.86 ATM (0.42) KDM4EGAATMEM97SIGMAR1KMT2A
Oxalic Acid SCHEMBL29680335 0.86 TERT (0.38) KDM4EGAAKMT2AMEN1ATM
Oxalic Acid SCHEMBL29680432 0.85 KDM4E (0.38) KDM4EGAAKMT2AMEN1ATM
SCHEMBL29680618 0.85 RAD52 (0.40) KDM4ETMEM97SIGMAR1KMT2ATERT
Oxalic Acid SCHEMBL29680780 0.85 BCHE (0.42) KDM4EGAATMEM97SIGMAR1KMT2A
Oxalic Acid SCHEMBL29680612 0.84 AKT1 (0.46) KDM4EGAAKMT2AMEN1ALDH1A1

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