SCHEMBL2007479

SCHEMBL2007479

N=C(N)NCCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
PPIF P30405 1/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SSTR3 P32745 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.39
TGM2 P21980 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL5052608 0.94 KMT2A (0.41) PPIAMEN1KMT2AMAPTPPIF
Hydrochloric Acid SCHEMBL10946501 0.92 ALDH1A1 (0.41) PPIAMEN1KMT2AMAPTPPIF
SCHEMBL11016662 0.91 PPIA (0.42) PPIAMEN1KMT2AMAPTPPIF
SCHEMBL5052635 0.91 PPIA (0.42) PPIAMEN1KMT2AMAPTPPIF
Hydrochloric Acid SCHEMBL7768946 0.90 DPP8 (0.38) PPIAMEN1KMT2AMAPTPPIF
SCHEMBL8006884 0.89 ALDH1A1 (0.37) PPIAMEN1KMT2AMAPTPPIF
Acetic Acid SCHEMBL9450665 0.87 ALDH1A1 (0.36) PPIAMEN1KMT2AMAPTPPIF
SCHEMBL2268022 0.83 SIRT5 (0.57) SSTR3TGM2SIRT5
SCHEMBL7762891 0.83 FOLH1 (0.42) MEN1KMT2AALDH1A1HTT
SCHEMBL8995288 0.83 SSTR3 (0.46) SSTR3SIRT5

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
US-20110201513-A1 PROTEIN SPLICE VARIANT / ISOFORM DISCRIMINATION AND QUANTITATIVE MEASUREMENTS THEREOF MILLIPORE CORPORATION (US) 2011-08-18 US disclosed
US-7964362-B2 Proteome epitope tags and methods of use thereof in protein modification analysis MILLIPORE CORPORATION (US) 2011-06-21 US disclosed