SCHEMBL28024577

SCHEMBL28024577

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nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
BLM P54132 1/20 1.00
HBB P68871 1/20 1.00
HIF1A Q16665 1/20 1.00
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
EGLN1 Q9GZT9 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
MAPK1 P28482 1/20 0.41
SLC13A3 Q8WWT9 1/20 0.41
OR51E2 Q9H255 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
TSHR P16473 2/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL70072 1.00
SCHEMBL13570389 0.97
SCHEMBL27572689 0.90 LMNA (0.81) LMNAKMT2AMEN1BLMHBB
SCHEMBL27690134 0.86 LMNA (0.74) LMNAKMT2AMEN1BLMHBB
SCHEMBL1679439 0.83
Hydrochloric Acid SCHEMBL11628771 0.81 LMNA (0.68) LMNAKMT2AMEN1BLMHBB
SCHEMBL5249440 0.81 LMNA (0.68) LMNAKMT2AMEN1BLMHBB
SCHEMBL2371891 0.79 LMNA (0.65) LMNAKMT2AMEN1BLMHBB
SCHEMBL2371134 0.79 LMNA (0.65) LMNAKMT2AMEN1BLMHBB
SCHEMBL11701621 0.79 LMNA (0.65) LMNAKMT2AMEN1BLMHBB

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-105136918-B 3-nitropropionic acid efficient liquid phase chromatographic analysis detection method in a kind of food 广州市谱尼测试技术有限公司 2018-08-24 CN disclosed
CN-105136918-A High performance liquid chromatographic (HPLC) analytic and detecting method of 3-nitropropionic acid in food GUANGZHOU PONY TESTING TECHNOLOGY CO LTD 2015-12-09 CN disclosed