Oxalic Acid

Oxalic Acid

SCHEMBL6956873

N=C(Nc1cccc(NC(=O)Nc2ccccc2)c1)c1cccs1.O=C(O)C(=O)O

nearest known ligand 0.56

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
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
MAPT P10636 4/20 0.50
SIRT1 Q96EB6 1/20 0.49
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.46
CDK9 P50750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL7084928 0.97 KCNK3 (0.58) KCNK3KCNK9MAPTSIRT1KMT2A
SCHEMBL7081200 0.90 NPC1 (0.56) MAPTKMT2AMEN1ALDH1A1NPC1
Oxalic Acid SCHEMBL27355022 0.87 NOS1 (0.50) KCNK3KCNK9
Oxalic Acid SCHEMBL6956900 0.87 KCNK3 (0.76) KCNK3KCNK9MAPTSIRT1KMT2A
SCHEMBL6962792 0.85 KCNK3 (0.54) KCNK3KCNK9MAPTKMT2AMEN1
SCHEMBL7080389 0.84 KMT2A (0.57) KCNK3KCNK9MAPTKMT2AMEN1
SCHEMBL9046177 0.84 MEN1 (0.59) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL6280367 0.84 RAB9A (0.53) KCNK3KCNK9MAPTKMT2AMEN1
SCHEMBL9037285 0.84 KCNK3 (0.80) KCNK3KCNK9MAPTSIRT1KMT2A
Hydrochloric Acid SCHEMBL7078864 0.83 MEN1 (0.57) MAPTKMT2AMEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed