SCHEMBL27280423

SCHEMBL27280423

Nc1cc(C(=O)O)cc([N+](=O)[O-])c1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HPSE Q9Y251 1/20 0.50
TPMT P51580 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP6 P55212 1/20 0.46
HCAR3 P49019 2/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL11542097 0.90 HPSE (0.56) LMNAHPSETPMTKDM4EMEN1
SCHEMBL11546125 0.87 POLB (0.55) LMNAHPSETPMTMAPK1MEN1
SCHEMBL28070439 0.84 MEN1 (0.59) LMNAHPSETPMTKDM4EMEN1
SCHEMBL14879865 0.83 MAPT (0.50) LMNAHPSETPMTKDM4EMEN1
SCHEMBL573640 0.82 KDM4E (0.58) LMNAHPSETPMTKDM4EMEN1
SCHEMBL29155879 0.81 HPSE (0.48) LMNAHPSETPMTKDM4EMEN1
SCHEMBL14879694 0.80 HPSE (0.47) LMNAHPSETPMTKDM4EMEN1
SCHEMBL14879785 0.79 VCAM1 (0.51) LMNAHPSETPMTKDM4EMEN1
SCHEMBL29192369 0.79 HPSE (0.46) LMNAHPSETPMTKDM4EMEN1
SCHEMBL16577860 0.78 HPSE (0.46) LMNAHPSETPMTKDM4EMEN1

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
CN-1011779-B Synthesis method of diuretic butylated URAMINE GUILIN PHARMACEUTICAL FACTORY (CN) 1991-02-27 CN claimed
CN-86108913-A The synthetic method of diuretic bumetanide 1988-02-03 CN claimed
CN-1011779-B Synthesis method of diuretic butylated URAMINE GUILIN PHARMACEUTICAL FACTORY (CN) 1991-02-27 CN disclosed
CN-86108913-A The synthetic method of diuretic bumetanide 1988-02-03 CN disclosed