SCHEMBL29944162

SCHEMBL29944162

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TP53 P04637 1/20 0.64
TDP1 Q9NUW8 1/20 0.61
CES1 P23141 3/20 0.55
CES2 O00748 2/20 0.55
SRD5A2 P31213 1/20 0.55
ALOX5 P09917 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP19A1 P11511 1/20 0.54
LMNA P02545 1/20 0.50
CASP6 P55212 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CASR P41180 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL132541 1.00 CYP3A4 (0.65) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL9092526 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
Water SCHEMBL9103534 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL6347695 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
Hydrochloric Acid SCHEMBL1905625 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL12393448 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL28837769 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL7062380 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL28837773 0.98 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
Methyl Alcohol SCHEMBL27399292 0.96 CYP3A4 (0.61) CYP3A4SMN1; SMN2TP53TDP1CES1

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-4062179-B1 FLUORIMETRIC ANALYTICAL METHOD FOR THE DETERMINATION OF CREATININE IN CLINICALLY SIGNIFICANT BIOLOGICAL SAMPLES AND A FLUORIMETRIC REAGENT FOR USE IN THIS METHOD UNIV WARSZAWSKI (PL) 2024-09-25 EP disclosed
EP-4062179-A1 FLUORIMETRIC ANALYTICAL METHOD FOR THE DETERMINATION OF CREATININE IN CLINICALLY SIGNIFICANT BIOLOGICAL SAMPLES AND A FLUORIMETRIC REAGENT FOR USE IN THIS METHOD Uniwersytet Warszawski (PL) 2022-09-28 EP disclosed