Oxalic Acid

Oxalic Acid

SCHEMBL29680432

CN(C)CCCNCc1cc(-c2nc(Cl)nc3c2ccn3-c2ccccc2)cs1.O=C(O)C(=O)O

nearest known ligand 0.38

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 0.38
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35
RAD52 P43351 1/20 0.35
ALOX15 P16050 1/20 0.34
HTT P42858 2/20 0.33
CHEK1 O14757 1/20 0.32
CCR2 P41597 1/20 0.32
TERT O14746 1/20 0.32
POLR1A O95602 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
AGTR1 P30556 1/20 0.32
RAB9A P51151 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
SCHEMBL29680522 0.96 TERT (0.34) KDM4EGAAKMT2AALDH1A1RAD52
Oxalic Acid SCHEMBL29680744 0.85 KDM4E (0.41) KDM4EGAAATMMEN1KMT2A
Oxalic Acid SCHEMBL29680737 0.85 KDM4E (0.40) KDM4EGAAATMMEN1KMT2A
Oxalic Acid SCHEMBL29680659 0.84 ATM (0.41) KDM4EGAAATMMEN1KMT2A
Oxalic Acid SCHEMBL29680190 0.83 KDM4E (0.37) KDM4EGAAATMMEN1KMT2A
SCHEMBL29680649 0.81 TMEM97 (0.43) KDM4EKMT2AALDH1A1RAD52TERT
SCHEMBL29680644 0.80 KDM4E (0.35) KDM4EKMT2ARAD52TERTNPC1
SCHEMBL29680230 0.79 TMEM97 (0.43) KDM4EATMMEN1KMT2AALDH1A1
SCHEMBL29680514 0.78 TERT (0.33) KDM4EKMT2AALDH1A1RAD52HTT
SCHEMBL24528699 0.77 KDM4E (0.36) KDM4EMEN1KMT2AALDH1A1

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