Oxalic Acid

Oxalic Acid

SCHEMBL29680737

CN(C)CCCNCc1ccc(-c2nc(Cl)nc3c2ccn3-c2ccccc2)s1.O=C(O)C(=O)O

nearest known ligand 0.40

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 8/20 0.40
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
RAD52 P43351 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
POLR1A O95602 2/20 0.33
KCNH2 Q12809 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL29680644 0.96 KDM4E (0.35) KDM4EKMT2AHDAC3HDAC1HDAC2
Oxalic Acid SCHEMBL29680385 0.86 KDM4E (0.37) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680432 0.85 KDM4E (0.38) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680744 0.83 KDM4E (0.41) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680483 0.83 KDM4E (0.37) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680190 0.82 KDM4E (0.37) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680659 0.82 ATM (0.41) KDM4EGAAMEN1KMT2AATM
SCHEMBL29680572 0.81 LMNA (0.36) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL29680522 0.80 TERT (0.34) KDM4EGAAKMT2ARAD52ALDH1A1
SCHEMBL29680649 0.78 TMEM97 (0.43) KDM4EKMT2ARAD52ALDH1A1LMNA

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