Oxalic Acid

Oxalic Acid

SCHEMBL29680385

CN(C)CCCNCc1ccc(-c2nc(-c3ccc(CNCCCN(C)C)s3)c3ccn(-c4ccccc4)c3n2)cc1.O=C(O)C(=O)O

nearest known ligand 0.37

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 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
RAD52 P43351 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
CACNA1G O43497 4/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1H O95180 2/20 0.33
TERT O14746 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL29680572 0.96 LMNA (0.36) KDM4EHDAC1HDAC3HDAC2HDAC8
Oxalic Acid SCHEMBL29680483 0.94 KDM4E (0.37) KDM4EMEN1KMT2AATMHDAC1
SCHEMBL29680286 0.90 TERT (0.35) KDM4EHDAC1HDAC3HDAC2HDAC8
Oxalic Acid SCHEMBL29680355 0.89 KDM4E (0.41) KDM4EMEN1KMT2AATMHDAC1
Oxalic Acid SCHEMBL29680737 0.86 KDM4E (0.40) KDM4EMEN1KMT2AATMHDAC1
Oxalic Acid SCHEMBL29680418 0.86 ATM (0.42) KDM4EMEN1KMT2AATMHDAC1
Oxalic Acid SCHEMBL29680335 0.86 TERT (0.38) KDM4EMEN1KMT2AATMHDAC1
SCHEMBL29680618 0.85 RAD52 (0.40) KDM4EKMT2ARAD52LMNATSHR
SCHEMBL29680644 0.82 KDM4E (0.35) KDM4EKMT2AHDAC1HDAC3HDAC2
SCHEMBL29680410 0.81 ALDH1A1 (0.42) KDM4EMEN1KMT2AATMHDAC1

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