Oxalic Acid

Oxalic Acid

SCHEMBL5736731

O=C(O)C(=O)O.O=C(O)C(=O)O.O=S(=O)(NCCNCCNc1ccc(Cl)cc1Cc1ccccc1)c1cccc2cnccc12

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
▸ PRKACA P17612 5/20 0.56
▸ PRKACG P22612 4/20 0.56
▸ PRKACB P22694 4/20 0.56
▸ AKT2 P31751 3/20 0.56
▸ PRKCG P05129 5/20 0.54
▸ PRKCZ Q05513 5/20 0.54
▸ PRKCD Q05655 5/20 0.54
▸ PRKD3 O94806 4/20 0.54
▸ PRKCB P05771 4/20 0.54
▸ PRKCA P17252 4/20 0.54
▸ PRKCH P24723 4/20 0.54
▸ PRKCI P41743 4/20 0.54
▸ PRKCE Q02156 4/20 0.54
▸ PRKCQ Q04759 4/20 0.54
▸ PRKD1 Q15139 4/20 0.54
▸ CYP3A4 P08684 3/20 0.52
▸ CYP2D6 P10635 3/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ GLA P06280 1/20 0.52
▸ LMNA P02545 2/20 0.51

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
SCHEMBL14094544 0.97 PRKACA (0.60) PRKACAPRKACGPRKACBAKT2PRKCG
SCHEMBL29380289 0.77 FLT3 (0.77) PRKACAPRKACGPRKACBAKT2PRKCG
SCHEMBL14094545 0.75 PRKACA (0.59) PRKACAPRKACGPRKACBAKT2PRKCG
SCHEMBL5737710 0.74 PRKACA (0.57) PRKACAPRKACGPRKACBAKT2PRKCG
SCHEMBL9541290 0.73 PRKCG (0.86) PRKACAPRKACGPRKACBAKT2PRKCG
SCHEMBL14094554 0.73 PRKACA (0.63) PRKACAPRKACGPRKACBAKT2PRKCG
SCHEMBL14094518 0.73 PRKACA (0.68) PRKACAPRKACGPRKACBAKT2PRKCG
Oxalic Acid SCHEMBL5009453 0.73 MEN1 (0.46) CYP3A4LMNAMEN1KMT2AHIF1A
SCHEMBL29644982 0.72 PRKACA (1.00) PRKACAPRKACGPRKACBAKT2PRKCG
SCHEMBL14094570 0.72 PRKACA (0.47) PRKACAPRKACGPRKACBAKT2PRKCG

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-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 — — EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 — — WO disclosed
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