SCHEMBL10355100

SCHEMBL10355100

O=S(=O)(c1ccc(F)cc1)c1ccccc1-c1ccccc1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.57
PTGS2 P35354 2/20 0.52
PTGS1 P23219 1/20 0.52
CYP2D6 P10635 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
HTR2A P28223 3/20 0.49
HTR2C P28335 2/20 0.49
KCNH2 Q12809 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NAMPT P43490 1/20 0.45
HTR6 P50406 2/20 0.44
IKBKB O14920 1/20 0.43
PKM P14618 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
SCHEMBL3297607 0.89 HSD11B1 (0.63) HSD11B1PTGS2PTGS1CYP2D6MMP1
SCHEMBL2474755 0.83 HTR2A (0.59) HSD11B1CYP2D6MMP1MMP2MMP3
SCHEMBL9793431 0.82 HTR6 (0.62) KMT2AHTR6
SCHEMBL1585056 0.80 HSD11B1 (0.59) HSD11B1PTGS2CYP2D6MMP1MMP2
SCHEMBL29196139 0.80 CA1 (0.50) HSD11B1PTGS2PTGS1CYP2D6MMP1
SCHEMBL3444895 0.80 HSD11B1 (0.65) HSD11B1CYP2D6MMP1MMP2MMP3
SCHEMBL5086111 0.79 HSD11B1 (0.51) HSD11B1PTGS2PTGS1CYP2D6MMP1
SCHEMBL2947083 0.79 ALDH1A1 (0.60) HSD11B1PTGS2PTGS1KMT2AMEN1
SCHEMBL9797523 0.79 HSD11B1 (0.57) HSD11B1PTGS2PTGS1CYP2D6MMP1
SCHEMBL11980110 0.78 HTR6 (0.70) HSD11B1PTGS2PTGS1MMP1MMP2

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
WO-2022191049-A1 POWDERY PRIMER COMPOSITION ダイキン工業株式会社 2022-09-15 WO disclosed
EP-0264499-B1 SULFONATED POLY(ARYL ETHER) RESINS AND INTERMEDIATE SILYL SULFONATE DERIVATIVES; METHODS OF MAKING THEM, AND MEMBRANES FORMED FROM THE RESINS AMOCO CORPORATION (an Indiana corp.) (US) 1990-08-01 EP disclosed
EP-0264499-A1 Sulfonated poly(aryl ether) resins and intermediate silyl sulfonate derivatives; methods of making them, and membranes formed from the resins AMOCO CORPORATION (an Indiana corp.) (US) 1988-04-27 EP disclosed