SCHEMBL4528141

SCHEMBL4528141

Cc1ccc(S(=O)(=O)CC(CS(=O)(=O)c2ccc(C)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.47
SLC6A2 P23975 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46

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
SCHEMBL4520935 0.88 KMT2A (0.50) KMT2AGAALMNAALDH1A1CES2
SCHEMBL907066 0.85 PKM (0.65) KMT2APOLBGAAPKMLMNA
SCHEMBL12237263 0.81 KMT2A (0.77) KMT2APOLBGAAPKMLMNA
SCHEMBL12642017 0.78 ALDH1A1 (0.50) KMT2APKMLMNAALDH1A1MAPT
SCHEMBL12237260 0.78 KMT2A (0.56) KMT2APOLBGAAPKMLMNA
SCHEMBL12237314 0.74 KMT2A (0.52) KMT2APOLBGAAPKMLMNA
SCHEMBL6642132 0.73 GAA (0.62) KMT2APOLBGAALMNAALDH1A1
SCHEMBL17688654 0.73 ALDH1A1 (0.48) KMT2AGAAPKMLMNAALDH1A1
SCHEMBL21151897 0.73 ALDH1A1 (0.45) KMT2APKMLMNAALDH1A1MAPT
SCHEMBL13333146 0.73 MAPT (0.50) KMT2APKMLMNAALDH1A1MAPT

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