Oxalic Acid

Oxalic Acid

SCHEMBL29680355

CN(C)CCCNCc1ccc(-c2nc(-c3ccc(CNCCCN(C)C)cc3)c3ccn(-c4ccccc4)c3n2)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
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 1/20 0.38
TERT O14746 1/20 0.37
RAD52 P43351 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
HTR5A P47898 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 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
Oxalic Acid SCHEMBL29680418 0.96 ATM (0.42) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680335 0.96 TERT (0.38) KDM4EGAAMEN1KMT2AATM
SCHEMBL29680618 0.95 RAD52 (0.40) KDM4EKMT2ATERTRAD52CCNA2
SCHEMBL29680410 0.92 ALDH1A1 (0.42) KDM4EMEN1KMT2AATMHDAC1
SCHEMBL29680517 0.91 LMNA (0.41) TERTRAD52CCNA2CDK2ALDH1A1
Oxalic Acid SCHEMBL29680744 0.90 KDM4E (0.41) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680483 0.89 KDM4E (0.37) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680385 0.89 KDM4E (0.37) KDM4EGAAMEN1KMT2AATM
Oxalic Acid SCHEMBL29680599 0.88 TERT (0.40) KDM4EMEN1KMT2AATMHDAC1
Oxalic Acid SCHEMBL29680659 0.86 ATM (0.41) KDM4EGAAMEN1KMT2AATM

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