Oxalic Acid

Oxalic Acid

SCHEMBL29680932

CN(C)CCCCCNCc1ccc(-c2nc(-c3ccc(CNCCCCCN(C)C)cc3)c3cnn(-c4ccccc4)c3n2)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 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
KDM5B Q9UGL1 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CYP2C9 P11712 1/20 0.36
FPR1 P21462 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HDAC1 Q13547 1/20 0.36
ABL1 P00519 1/20 0.35
SRC P12931 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 SCHEMBL29680471 0.97 KDM4E (0.45) KDM4EPIK3CAMTORKDM5BALDH1A1
SCHEMBL29680774 0.96 KDM4E (0.45) KDM4EPIK3CAMTORKDM5BALDH1A1
SCHEMBL29680588 0.95 KDM4E (0.46) KDM4EPIK3CAMTORKDM5BALDH1A1
SCHEMBL29680625 0.92 KDM4E (0.48) KDM4EPIK3CAMTORKDM5BALDH1A1
Oxalic Acid SCHEMBL29680369 0.84 KDM5B (0.51) PIK3CAMTORKDM5B
Oxalic Acid SCHEMBL29680355 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29680640 0.79 KDM5B (0.48) PIK3CAMTORKDM5B
Oxalic Acid SCHEMBL29680599 0.79 TERT (0.40) KDM4EPIK3CAMTORALDH1A1MEN1
Oxalic Acid SCHEMBL29680418 0.79 ATM (0.42) KDM4EALDH1A1MEN1KMT2AATM
Oxalic Acid SCHEMBL29680335 0.79 TERT (0.38) KDM4EPIK3CAMTORALDH1A1MEN1

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