SCHEMBL23560922

SCHEMBL23560922

O=Cc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
UNG P13051 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PTPN1 P18031 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
SRD5A2 P31213 1/20 0.44
ALDH1A1 P00352 2/20 0.44
XDH P47989 1/20 0.42
ALOX5 P09917 2/20 0.41
FBP1 P09467 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL14192215 0.84 ALDH1A1 (0.53) TP53SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL3130397 0.84 TP53 (0.50) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL232779 0.82 TP53 (0.64) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL29944162 0.82 CYP3A4 (0.65) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL132541 0.82 CYP3A4 (0.65) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL28557809 0.81 TP53 (0.55) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL2559515 0.81 ERN1 (0.49) TP53TDP1SMN1; SMN2CYP3A4MEN1
Hydrochloric Acid SCHEMBL2299193 0.81 TP53 (0.62) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL9133420 0.81 TP53 (0.62) TP53TDP1SMN1; SMN2CYP3A4MEN1
Hydrochloric Acid SCHEMBL3088495 0.81 TP53 (0.62) TP53TDP1SMN1; SMN2CYP3A4MEN1

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
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
WO-2021127214-A1 SYNTHETIC PROCESSES AND INTERMEDIATES ARBUTUS BIOPHARMA CORPORATION (CA) 2021-06-24 WO disclosed