SCHEMBL9436136

SCHEMBL9436136

O=S(=O)(O)c1ccccc1CC(F)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
MMP13 P45452 2/20 0.34
MMP14 P50281 2/20 0.34
CYP2D6 P10635 1/20 0.34
TTR P02766 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGAM1 P18669 1/20 0.33
CYP1A2 P05177 1/20 0.32
P2RY4 P51582 1/20 0.32
SLC6A2 P23975 1/20 0.31
HSD11B1 P28845 1/20 0.31
MMP8 P22894 1/20 0.31
MMP16 P51512 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL15541480 0.82 MYC (0.42) MYCMMP1MMP2MMP3MMP9
SCHEMBL8905648 0.81 PKLR (0.36) MMP1MMP2MMP3MMP9MMP12
SCHEMBL8936570 0.78 MYC (0.41) MYCMMP1MMP2MMP3MMP9
SCHEMBL4657831 0.78 GABRA1 (0.48) MYCTTRTSHRSMN1; SMN2CYP1A2
SCHEMBL707080 0.78 MYC (0.41) MYCMMP1MMP2MMP3MMP9
SCHEMBL29160482 0.77 NR3C1 (0.33) MYCCYP2D6CYP1A2TDP1LMNA
Ammonia Solution, Strong SCHEMBL23749128 0.76 GABRA1 (0.47) MYCTTRTSHRSMN1; SMN2CYP1A2
SCHEMBL8175250 0.75 MYC (0.39) MYCMMP1MMP2MMP3MMP9
SCHEMBL777101 0.75 MYC (0.44) MYCMMP1MMP2MMP3MMP9
SCHEMBL14991455 0.74 MYC (0.47) MYCMMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6172294-A None JP disclosed
JP-H06172294-A PREPARATION OF SUBSTITUTED BENZENE, BENZENESULFONIC ACID AND ITS DERIVATIVE, AND PREPARATION OF N,N'-SUBSTITUTED UREA CIBA GEIGY AG 1994-06-21 JP disclosed