SCHEMBL8463580

SCHEMBL8463580

O=C(O)c1cc2cccc(C(F)(F)F)c2cc1I(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
GPR35 Q9HC97 2/20 0.38
FABP4 P15090 1/20 0.37
SORT1 Q99523 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL8462693 0.82 MPL (0.38) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL8464770 0.81 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL24895079 0.81 GRIN2D (0.66) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL8460317 0.80 KDM4E (0.48) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL8462678 0.79 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL8462734 0.79 GRIN2D (0.46) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL8463162 0.78 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL8464339 0.78 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL24895089 0.78 GRIN2D (0.57) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL8463164 0.77 GRIN2D (0.42) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed