Oxalic Acid

Oxalic Acid

SCHEMBL9630341

Cc1ccc(Cn2c(NC3CCNC3)nc3cccnc32)o1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.40

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
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 5/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ENPP2 Q13822 3/20 0.37
MAPT P10636 2/20 0.36
NR4A2 P43354 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOB P27338 1/20 0.36
HTR6 P50406 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CHEK2 O96017 1/20 0.35
BRD4 O60885 2/20 0.35
ATAD2 Q6PL18 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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 SCHEMBL9630351 1.00 MEN1 (0.40) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL9630513 0.95 NR4A2 (0.39) MEN1KMT2ATP53ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9630572 0.94 NR4A2 (0.39) MEN1KMT2ATP53NR4A2KCNH2
Oxalic Acid SCHEMBL9629525 0.92 MEN1 (0.40) MEN1KMT2ATP53ALDH1A1HPGD
Oxalic Acid SCHEMBL9629530 0.92 MEN1 (0.40) MEN1KMT2ATP53ALDH1A1HPGD
Noberastine SCHEMBL18424 0.89 NR4A2 (0.45) MEN1KMT2ATP53ALDH1A1MAPT
Noberastine SCHEMBL1230647 0.85 NR4A2 (0.37) MEN1KMT2ATP53ALDH1A1HPGD
Oxalic Acid SCHEMBL9630637 0.84 MEN1 (0.42) MEN1KMT2ATP53ALDH1A1HPGD
Oxalic Acid SCHEMBL9630643 0.84 MEN1 (0.42) MEN1KMT2ATP53ALDH1A1HPGD
Noberastine SCHEMBL27256187 0.83 TP53 (0.35) MEN1KMT2ATP53ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed