Oxalic Acid

Oxalic Acid

SCHEMBL6603520

O=C(O)C(=O)O.c1ccc(NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.67

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
KMT2A Q03164 7/20 0.67
MEN1 O00255 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.66
HTR1A P08908 1/20 0.64
DRD2 P14416 1/20 0.64
HTR2A P28223 1/20 0.64
HTR7 P34969 1/20 0.64
HTR6 P50406 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 1/20 0.62
PTGS1 P23219 1/20 0.60

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
SCHEMBL6599683 0.93 HTR2A (0.71) KMT2AMEN1SMN1; SMN2MAPTHTR1A
Hydrochloric Acid SCHEMBL11602872 0.91 HTR2A (0.70) KMT2AMEN1SMN1; SMN2MAPTHTR1A
SCHEMBL8265592 0.88 MEN1 (0.62) KMT2AMEN1SMN1; SMN2MAPTNPC1
Oxalic Acid SCHEMBL29489386 0.85 KMT2A (0.66) KMT2AMEN1SMN1; SMN2MAPTHTR1A
SCHEMBL28413707 0.84 HRH3 (0.63) KMT2AMEN1HTR1ADRD2HTR2A
SCHEMBL8263255 0.81 HTR2A (0.65) KMT2AMEN1HTR1ADRD2HTR2A
SCHEMBL7015692 0.81 HRH3 (0.67) KMT2AMEN1MAPTHTR1ADRD2
SCHEMBL6394942 0.81 MEN1 (0.76) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL734585 0.81 MEN1 (1.00) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL7675374 0.79 MEN1 (0.66) KMT2AMEN1SMN1; SMN2MAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO disclosed