SCHEMBL4520935

SCHEMBL4520935

O=C(c1cccc([N+](=O)[O-])c1)C(CS(=O)(=O)c1ccc(Cl)cc1)CS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 3/20 0.46
P2RY2 P41231 1/20 0.44
GPR17 Q13304 1/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
ELANE P08246 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44

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
SCHEMBL4528141 0.88 KMT2A (0.65) KMT2AALDH1A1TSHRCES2CES1
SCHEMBL4505612 0.85 FLT1 (0.54) KMT2AALDH1A1CES1LMNAHTT
SCHEMBL4528246 0.80 HSD11B1 (0.53) KMT2AALDH1A1CES2CES1HTT
SCHEMBL4529584 0.78 NPC1 (0.50) KMT2AALDH1A1CES2CES1GAA
SCHEMBL7787760 0.73 ALDH1A1 (0.63) KMT2AALDH1A1TSHRCES2CES1
SCHEMBL11321858 0.73 CES1 (0.77) KMT2AALDH1A1TSHRCES2CES1
SCHEMBL907066 0.72 PKM (0.65) KMT2AALDH1A1LMNAMEN1GAA
Dinitrophenylene SCHEMBL28000305 0.71 ALDH1A1 (0.62) KMT2AALDH1A1TSHRCES2CES1
SCHEMBL27914715 0.71 CES2 (0.68) KMT2AALDH1A1TSHRCES2CES1
SCHEMBL9423190 0.70 ALDH1A1 (0.63) KMT2AALDH1A1TSHRCES2CES1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090305264-A1 COOPERATIVE PROBES AND METHODS OF USING THEM FLUIDIGM CORPORATION 2009-12-10 US disclosed
EP-1893741-A1 CELL-BASED MICROARRAYS, AND METHODS FOR THEIR PREPARATION AND USE Beckman Coulter, Inc. (US) 2008-03-05 EP disclosed
WO-2007001817-A1 CELL-BASED MICROARRAYS, AND METHODS FOR THEIR PREPARATION AND USE BECKMAN COULTER, INC. (US) 2007-01-04 WO disclosed
US-20060292559-A1 Cell-based microarrays, and methods for their preparation and use BECKMAN COULTER, INC. (US) 2006-12-28 US disclosed
EP-0779934-B1 COMPOSITIONS AND METHODS FOR USE IN DETECTION OF ANALYTES BECKMAN COULTER INC (US) 2000-04-05 EP disclosed
US-5648213-A IMMUNOASSAY BECKMAN INSTRUMENTS, INC. (US) 1997-07-15 US disclosed
EP-0779934-A1 COMPOSITIONS AND METHODS FOR USE IN DETECTION OF ANALYTES BECKMAN INSTRUMENTS, INC. (US) 1997-06-25 EP disclosed
WO-1996006948-A1 COMPOSITIONS AND METHODS FOR USE IN DETECTION OF ANALYTES BECKMAN INSTRUMENTS, INC. (US) 1996-03-07 WO disclosed