Malonic Acid

Malonic Acid

SCHEMBL27637392

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

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 8/20 0.63
▸ FFAR1 O14842 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ ASPH Q12797 2/20 0.51
▸ KDM8 Q8N371 2/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ RIOX2 Q8IUF8 1/20 0.50
▸ HIF1A Q16665 1/20 0.49
▸ ACACB O00763 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ GAA P10253 1/20 0.47

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
Oxalic Acid SCHEMBL27618068 0.93 VNN1 (0.64) VNN1FFAR1KDM4EASPHKDM8
Acetic Acid SCHEMBL27618224 0.93 VNN1 (0.68) VNN1FFAR1KDM4EASPHKDM8
SCHEMBL27429524 0.89 VNN1 (0.61) VNN1RAB9AGAA
SCHEMBL27618142 0.87 VNN1 (0.60) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL18286268 0.77 VNN1 (1.00) VNN1ALDH1A1
Acetic Acid SCHEMBL27637267 0.76 ACACB (0.49) VNN1FFAR1KDM4ERAB9AACACB
SCHEMBL19422706 0.76 KDM4E (0.58) VNN1FFAR1KDM4EASPHKDM8
SCHEMBL5622343 0.75 VNN1 (0.59) VNN1RAB9AGAA
SCHEMBL18286271 0.74 VNN1 (1.00) VNN1
SCHEMBL10428819 0.74 FFAR1 (0.72) FFAR1KDM4ERAB9AHIF1AHDAC1

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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