SCHEMBL28047575

SCHEMBL28047575

O=C(NCc1ccccc1)OCc1ccc(Br)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.60
HDAC1 Q13547 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC2 Q92769 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 1/20 0.56
NAMPT P43490 1/20 0.54
TNKS O95271 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
PRSS1 P07477 1/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL192484 1.00 PLAU (0.64) PLAUL3MBTL1HDAC1HDAC3HDAC2
Benzyl Benzylcarbamate SCHEMBL1136818 0.90 PLAU (0.70) PLAUHDAC1HDAC3HDAC2SMN1; SMN2
Benzyl Benzylcarbamate SCHEMBL9998166 0.89 PLAU (0.68) PLAUHDAC1HDAC3HDAC2SMN1; SMN2
Benzyl Benzylcarbamate SCHEMBL19810513 0.89 PLAU (0.68) PLAUHDAC1HDAC3HDAC2SMN1; SMN2
Benzyl Benzylcarbamate SCHEMBL28413454 0.89 PLAU (0.68) PLAUHDAC1HDAC3HDAC2SMN1; SMN2
SCHEMBL191161 0.87 PLAU (0.68) PLAUL3MBTL1HDAC1HDAC3HDAC2
SCHEMBL20047179 0.86 PLAU (0.66) PLAUL3MBTL1HDAC1HDAC3HDAC2
Benzyl Benzylcarbamate SCHEMBL29011837 0.85 PLAU (0.65) PLAUHDAC1HDAC3HDAC2SMN1; SMN2
SCHEMBL20022975 0.85 L3MBTL1 (0.57) PLAUL3MBTL1SMN1; SMN2HPGDMAPT
SCHEMBL5943754 0.85 GLA (0.56) PLAUL3MBTL1HDAC1HDAC3HDAC2

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
CN-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed
CN-105209450-A Molecules and intermediates having pesticidal utility, compositions and methods relating thereto DOW AGROSCIENCES LLC 2015-12-30 CN disclosed