Oxalic Acid

Oxalic Acid

SCHEMBL27618068

COc1ccc(CNc2ncncn2)cc1.O=C(O)C(=O)O

nearest known ligand 0.64

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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 16)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 7/20 0.64
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ ASPH Q12797 2/20 0.52
▸ KDM8 Q8N371 2/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ FFAR1 O14842 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ RIOX2 Q8IUF8 1/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ ACACB O00763 1/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.48
▸ GAA P10253 1/20 0.48

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
Acetic Acid SCHEMBL27618224 0.94 VNN1 (0.68) VNN1ALDH1A1KDM4EASPHKDM8
Malonic Acid SCHEMBL27637392 0.93 VNN1 (0.63) VNN1ALDH1A1KDM4EASPHKDM8
SCHEMBL27429524 0.91 VNN1 (0.61) VNN1MEN1KMT2ARAB9ANPC1
SCHEMBL27618142 0.88 VNN1 (0.60) VNN1ALDH1A1KDM4EASPHKDM8
SCHEMBL18286268 0.78 VNN1 (1.00) VNN1ALDH1A1
Acetic Acid SCHEMBL27637267 0.77 ACACB (0.49) VNN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19422706 0.77 KDM4E (0.58) VNN1KDM4EASPHKDM8FFAR1
SCHEMBL5622343 0.76 VNN1 (0.59) VNN1MEN1KMT2ARAB9ANPC1
SCHEMBL18286271 0.75 VNN1 (1.00) VNN1
SCHEMBL11563704 0.73 VNN1 (0.64) VNN1KDM4EASPHKDM8KMT2A

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-100551916-C New 2,4-diamino-1,3,5-triazines derivative HAMARI CHEMICALS LTD (JP) 2009-10-21 — — CN disclosed
CN-1726199-A Novel 2,4-diamino-1,3,5-triazine derivative HAMARI CHEMICALS LTD (JP) 2006-01-25 — — CN disclosed
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