Oxalic Acid

Oxalic Acid

SCHEMBL28200758

N#CNNc1ccc(C#N)cc1.O=C(O)C(=O)O

nearest known ligand 0.53

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
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
IL18 Q14116 1/20 0.45
IDO1 P14902 3/20 0.44
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL28200139 0.88 CA2 (0.45) MAPTLMNATSHRHTTNLRP3
Sulfuric Acid SCHEMBL28856222 0.85 CA2 (0.50) MAPTLMNATSHRHTTNLRP3
Phosphoric Acid SCHEMBL28200771 0.85 MMP2 (0.56) MAPTLMNATSHRHTTNLRP3
Oxalic Acid SCHEMBL28374739 0.81 MAPT (0.46) MAPTLMNATSHRHTTNLRP3
Oxalic Acid SCHEMBL28200075 0.80 MAPT (0.53) MAPTLMNATSHRHTTMEN1
Oxalic Acid SCHEMBL11668337 0.79 CA2 (0.58) MAPTLMNATSHRHTTNLRP3
Oxalic Acid SCHEMBL20984921 0.77 IDO1 (0.50) MAPTLMNATSHRHTTNLRP3
Oxalic Acid SCHEMBL20984920 0.77 IDO1 (0.50) MAPTLMNATSHRHTTNLRP3
SCHEMBL28377566 0.75 MAPT (0.50) MAPTLMNATSHRHTTNLRP3
SCHEMBL10037166 0.73 GPR35 (0.67) MAPTLMNATSHRHTTNLRP3

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
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed