Oxalic Acid

Oxalic Acid

SCHEMBL29680599

CN(C)CCCNCc1ccc(-c2nc(-c3ccc(CNCCCN(C)C)cc3)c3ccn(C)c3n2)cc1.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
TERT O14746 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
PIK3CA P42336 5/20 0.37
MTOR P42345 5/20 0.37
HDAC1 Q13547 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 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
SCHEMBL29680699 0.94 LMNA (0.43) TERTCCNA2CDK2LMNATSHR
Oxalic Acid SCHEMBL29680335 0.89 TERT (0.38) TERTCCNA2CDK2LMNATSHR
Oxalic Acid SCHEMBL29680355 0.88 KDM4E (0.41) TERTCCNA2CDK2LMNATSHR
Oxalic Acid SCHEMBL29680418 0.86 ATM (0.42) TERTCCNA2CDK2KDM4EMEN1
Oxalic Acid SCHEMBL29680295 0.83 AKT1 (0.46) LMNAKDM4EMEN1KMT2APIK3CA
SCHEMBL29680517 0.82 LMNA (0.41) TERTCCNA2CDK2LMNATSHR
Oxalic Acid SCHEMBL29680471 0.82 KDM4E (0.45) KDM4EMEN1KMT2AATMPIK3CA
SCHEMBL29680618 0.82 RAD52 (0.40) TERTCCNA2CDK2LMNATSHR
Oxalic Acid SCHEMBL29680414 0.81 DPP7 (0.38) KDM4EMEN1KMT2AATMS1PR2
SCHEMBL29680410 0.80 ALDH1A1 (0.42) TERTCCNA2CDK2LMNATSHR

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