Oxalic Acid

Oxalic Acid

SCHEMBL9024702

COc1c(C(=O)NCCN(C)C2CCCCC2)sc2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.47

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 7/20 0.47
TP53 P04637 6/20 0.47
SENP5 Q96HI0 3/20 0.46
SENP2 Q9HC62 3/20 0.46
SENP1 Q9P0U3 3/20 0.46
NMT1 P30419 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 2/20 0.43
ABCC1 P33527 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39

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
Hydrochloric Acid SCHEMBL9303740 0.96 MAPT (0.46) MAPTTP53SENP5SENP2SENP1
SCHEMBL9024516 0.80 SENP5 (0.48) MAPTSENP5SENP2SENP1NMT1
SCHEMBL9024033 0.80 SENP5 (0.48) MAPTSENP5SENP2SENP1NMT1
Hydrochloric Acid SCHEMBL9306109 0.79 SENP5 (0.48) MAPTSENP5SENP2SENP1NMT1
Hydrochloric Acid SCHEMBL9304756 0.79 SENP5 (0.48) MAPTSENP5SENP2SENP1NMT1
Hydrochloric Acid SCHEMBL9303745 0.78 SENP5 (0.49) MAPTSENP5SENP2SENP1NMT1
Hydrochloric Acid SCHEMBL9024501 0.77 CXCR4 (0.51) MAPTSENP5SENP2SENP1NMT1
SCHEMBL11801079 0.77 SENP5 (0.52) MAPTTP53SENP5SENP2SENP1
Hydrochloric Acid SCHEMBL9305852 0.77 SENP5 (0.48) MAPTSENP5SENP2SENP1NMT1
Hydrochloric Acid SCHEMBL9304862 0.76 SENP5 (0.47) MAPTSENP5SENP2SENP1NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543584-B1 Benzo(b)thiophene-2-carboxamides for the treatment of disorders of the central nervous system LILLY INDUSTRIES LTD (GB) 1996-05-22 EP disclosed
US-5338735-A For treatment of central nervous system disorders LILLY INDUSTRIES LIMITED (GB) 1994-08-16 US disclosed
EP-0543584-A1 Benzo(b)thiophene-2-carboxamides for the treatment of disorders of the central nervous system LILLY INDUSTRIES LIMITED (GB) 1993-05-26 EP disclosed