Oxalic Acid

Oxalic Acid

SCHEMBL27447151

N=C(Nc1ccc(CCNCc2cccs2)cc1)c1cccs1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.54

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 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 8/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6962454 0.94 L3MBTL1 (0.51) KDM4EL3MBTL1NPC1ALDH1A1MAPT
Oxalic Acid SCHEMBL27399470 0.86 ALDH1A1 (0.48) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL6958210 0.85 GAA (0.49) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL6963560 0.85 GAA (0.49) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL9037372 0.83 NPC1 (0.51) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL9038704 0.81 NPC1 (0.55) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL6962276 0.81 NPC1 (0.52) KDM4ENPC1ALDH1A1MAPTLMNA
SCHEMBL9039601 0.81 NPC1 (0.48) NPC1ALDH1A1MAPTLMNATDP1
SCHEMBL4397478 0.81 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27357975 0.81 NOS3 (0.47) KDM4EL3MBTL1NPC1ALDH1A1MAPT

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
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed