SCHEMBL1645918

SCHEMBL1645918

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.52
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 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
GLO1 Q04760 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX12 P18054 1/20 0.43
TP53 P04637 1/20 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
SCHEMBL4440575 0.82 GSK3B (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1644964 0.80 PTPRC (0.59) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5260940 0.80 PTPRC (0.55) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL1645915 0.78 PTPRC (0.54) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL4656742 0.77 PTPRC (0.52) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL14744311 0.76 PTPRC (0.61) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL28549165 0.76 PTPRC (0.61) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL15563384 0.76 ALDH1A1 (0.54) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL10197982 0.75 PTPRC (0.54) PTPRCALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL3061495 0.75 ALDH1A1 (0.53) PTPRCALDH1A1SMN1; SMN2LMNAMAPT

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
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
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