Oxalic Acid

Oxalic Acid

SCHEMBL7610219

Cc1cn(Nc2ccncc2)c2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.84

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
SLC6A2 P23975 6/20 0.84
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TYK2 P29597 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 3/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
JAK2 O60674 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
FABP4 P15090 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL7611582 0.92 SLC6A2 (1.00) SLC6A2TYK2HTTBCHEACHE
SCHEMBL8634927 0.76 SLC6A2 (0.67) SLC6A2HTTLMNAALDH1A1
SCHEMBL7613199 0.75 SLC6A2 (0.65) SLC6A2HTTBCHEACHELMNA
SCHEMBL8836040 0.75 SLC6A2 (0.51) SLC6A2MEN1KMT2AFABP4KDM4E
SCHEMBL7232050 0.74 SLC6A2 (0.68) SLC6A2MEN1KMT2ATYK2JAK2
SCHEMBL8442016 0.73 SLC6A2 (0.67) SLC6A2BCHEACHE
SCHEMBL9848533 0.73 SLC6A2 (0.66) SLC6A2MEN1KMT2AKDM4E
SCHEMBL9445638 0.72 SLC6A2 (0.65) SLC6A2MEN1KMT2AHTTBCHE
SCHEMBL7609763 0.71 SLC6A2 (0.63) SLC6A2MEN1KMT2AHTTLMNA
SCHEMBL7608007 0.71 SLC6A2 (0.58) SLC6A2MEN1KMT2ABCHEACHE

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840609-B1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS AVENTIS PHARMA INC (US) 2002-06-05 EP disclosed
US-5776955-A Use of unsubstituted and substituted n-(pyrrol-1-yl)pyridinamines as anticonvulsant agents HOECHST MARION ROUSSEL, INC. 1998-07-07 US disclosed
EP-0840609-A1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-05-13 EP disclosed
WO-1997004777-A1 USE OFF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-02-13 WO disclosed
EP-0287982-B1 N-(Pyridinyl)-1H-indol-1-amines, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-12-07 EP disclosed
US-5356910-A Use of N-(pyridinyl)-1H-indol-1-amines for the treatment of obsessive-compulsive disorder HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-10-18 US disclosed
US-5039811-A Analgesics, antidepressants, memory activators; condensation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed
US-4880822-A COGNITION ACTIVATORS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-11-14 US disclosed
EP-0287982-A2 N-(Pyridinyl)-1H-indol-1-amines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-10-26 EP disclosed