SCHEMBL4438465

SCHEMBL4438465

CC(C)(C(=O)O)c1cccc([N+](=O)[O-])c1.CC(C)(C(N)=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.52
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 5/20 0.49
TP53 P04637 1/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL1644927 0.94 PTPRC (0.57) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL31303067 0.94 PTPRC (0.57) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL6622555 0.93 PTPRC (0.59) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL1645746 0.93 PTPRC (0.59) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL7451869 0.81 PTPRC (0.56) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL27963785 0.80 PTPRC (0.59) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL1644964 0.80 PTPRC (0.59) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL6680006 0.78 PTPRC (0.54) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL5804180 0.78 PTPRC (0.56) PTPRCMAPTKMT2ATSHRTP53
SCHEMBL27919084 0.78 PTPRC (0.56) PTPRCMAPTKMT2ATSHRTP53

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-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed