Oxalic Acid

Oxalic Acid

SCHEMBL11248693

CNC(=S)NCc1cccc(-c2csc(NC(=N)N)n2)c1.O=C(O)C(=O)O

nearest known ligand 0.49

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 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ROCK2 O75116 14/20 0.48
ROCK1 Q13464 14/20 0.48
SGK1 O00141 1/20 0.45
AKT1 P31749 1/20 0.45
GSK3B P49841 1/20 0.45
LIMK1 P53667 1/20 0.45
TNK2 Q07912 1/20 0.45
DMPK Q09013 1/20 0.45
MYLK Q15746 1/20 0.45
CDC42BPA Q5VT25 1/20 0.45
ELOVL1 Q9BW60 1/20 0.44
RAB9A P51151 1/20 0.44
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
ABL1 P00519 1/20 0.43

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
SCHEMBL3607745 0.85 ROCK2 (0.56) KDM4EALDH1A1MAPTROCK2ROCK1
Oxalic Acid SCHEMBL11247631 0.84 SIRT5 (0.55) KDM4EALDH1A1MAPTRAB9AABL1
SCHEMBL3616071 0.83 PRMT6 (0.62) KDM4EALDH1A1MAPTROCK2ROCK1
SCHEMBL11244712 0.79 PRMT6 (0.45) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL11244710 0.79 PRMT6 (0.45) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL8648287 0.79 ROCK2 (0.56) KDM4EALDH1A1MAPTROCK2ROCK1
SCHEMBL3613000 0.79 ABL1 (0.54) KDM4EALDH1A1MAPTROCK1ELOVL1
SCHEMBL11248010 0.79 SIRT5 (0.52) KDM4EALDH1A1MAPTRAB9AABL1
SCHEMBL2395281 0.77 ATP4A (0.49) ALDH1A1ROCK2ROCK1ELOVL1RAB9A
SCHEMBL3609767 0.76 PHGDH (0.55) ALDH1A1MAPTROCK1RAB9AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed