SCHEMBL734681

SCHEMBL734681

O=C(O/N=C/Cl)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 6/20 0.67
MIF P14174 1/20 0.59
F2 P00734 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 2/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL734682 1.00 PLA2G7 (0.67) PLA2G7MIFF2LMNATSHR
SCHEMBL10406729 0.82 PLA2G7 (0.65) PLA2G7MIFF2LMNATSHR
SCHEMBL2890648 0.82 PLA2G7 (0.65) PLA2G7MIFF2LMNATSHR
SCHEMBL2532511 0.82 PLA2G7 (0.65) PLA2G7MIFF2LMNATSHR
SCHEMBL3222751 0.80 PLA2G7 (1.00) PLA2G7MIFF2LMNANPC1
SCHEMBL28069049 0.80 PLA2G7 (0.65) PLA2G7MIFF2LMNATSHR
SCHEMBL3222745 0.80 PLA2G7 (1.00) PLA2G7MIFF2LMNANPC1
SCHEMBL9070381 0.79 PLA2G7 (0.61) PLA2G7MIFF2LMNATSHR
SCHEMBL6936380 0.78 PLA2G7 (0.56) PLA2G7MIFF2LMNATSHR
SCHEMBL6936376 0.78 PLA2G7 (0.56) PLA2G7MIFF2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586307-B1 Synergistic microbicidal compositions containing 1,2-benzisothiazolin-3-one (BIT) and capric acid ROHM & HAAS (US) 2014-06-25 EP disclosed
EP-2586308-B1 Synergistic microbicidal compositions containing 2-methyl-4-isothiazolin-3-one (MIT) or 1,2-benzisothiazolin-3-one (BIT) and propionic acid ROHM & HAAS (US) 2013-11-20 EP disclosed
EP-2586309-B1 Synergistic microbicidal compositions containing 2-methyl-4-isothiazolin-3-one (MIT) or 1,2-benzisothiazolin-3-one (BIT) and maleic acid ROHM & HAAS (US) 2013-11-20 EP disclosed
EP-2586306-B1 Synergistic microbicidal compositions containing 1,2-benzisothiazolin-3-one (BIT) and gluconic acid ROHM & HAAS (US) 2013-11-20 EP disclosed
EP-2586308-A1 Synergistic microbicidal compositions containing 2-methyl-4-isothiazolin-3-one (MIT) or 1,2-benzisothiazolin-3-one (BIT) and propionic acid Rohm and Haas Company (US) 2013-05-01 EP disclosed
EP-2586310-A1 Synergistic microbicidal compositions containing 1,2-benzisothiazolin-3-one (BIT) and decylene glycol Rohm and Haas Company (US) 2013-05-01 EP disclosed
EP-2586309-A1 Synergistic microbicidal compositions containing 2-methyl-4-isothiazolin-3-one (MIT) or 1,2-benzisothiazolin-3-one (BIT) and maleic acid Rohm and Haas Company (US) 2013-05-01 EP disclosed
EP-2586307-A1 Synergistic microbicidal compositions containing 1,2-benzisothiazolin-3-one (BIT) and capric acid Rohm and Haas Company (US) 2013-05-01 EP disclosed
EP-2586306-A1 Synergistic microbicidal compositions containing 1,2-benzisothiazolin-3-one (BIT) and gluconic acid Rohm and Haas Company (US) 2013-05-01 EP disclosed
EP-2289335-B1 Synergistic microbicidal compositions containing 2-methyl-4-isothiazolin-3-one (MIT) or 1,2-benzisothiazolin-3-one (BIT) ROHM & HAAS (US) 2013-04-17 EP disclosed
US-8138212-B2 Synergistic microbicidal compositions ROHM AND HAAS COMPANY (US) 2012-03-20 US disclosed
EP-2289335-A2 Synergistic microbicidal compositions containing 2-methyl-4-isothiazolin-3-one (MIT) or 1,2-benzisothiazolin-3-one (BIT) Rohm and Haas Company (US) 2011-03-02 EP disclosed
US-20110028525-A1 Synergistic Microbicidal Compositions DDP SPECIALTY ELECTRONIC MATERIALS US 8, LLC 2011-02-03 US disclosed