SCHEMBL8763518

SCHEMBL8763518

O=S(=O)(c1ccc(I)cc1)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD11B1 P28845 4/20 0.41
MMP3 P08254 2/20 0.38
MMP12 P39900 2/20 0.38
MMP14 P50281 2/20 0.38
MMP16 P51512 2/20 0.38
CCR2 P41597 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 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
SCHEMBL3834739 0.87 HTR6 (0.57) HTR6KMT2ACA1CA2TSHR
SCHEMBL28609453 0.84 GAA (0.56) HTR6RAPGEF4KMT2ACA1CA2
SCHEMBL1682100 0.82 GAA (0.50) HTR6KMT2ACA1CA2TSHR
SCHEMBL29136610 0.80 HSD11B1 (0.55) HTR6RAPGEF4KMT2AHSD11B1
SCHEMBL3835169 0.78 HTR6 (0.70) HTR6RAPGEF4KMT2AMMP1MMP2
SCHEMBL896933 0.77 RAPGEF4 (0.56) HTR6RAPGEF4KMT2AMMP1MMP2
SCHEMBL3316403 0.76 POLB (0.49) HTR6RAPGEF4KMT2ACA1CA2
SCHEMBL9488438 0.73 HTR6 (0.52) HTR6KMT2ACA1CA2TSHR
SCHEMBL9462475 0.72 RAPGEF4 (0.41) HTR6RAPGEF4KMT2AMMP1MMP2
SCHEMBL6916722 0.71 RAD51 (0.38) HTR6KMT2ACA1CA2F2

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-0394933-B1 Polyphenylene sulfide resin composition TORAY INDUSTRIES (JP) 1997-07-09 EP disclosed
US-5488084-A ALLOY WITH POLYAMIDES, IMPACT RESISTANCE TORAY INDUSTRIES, INC. (JP) 1996-01-30 US disclosed
EP-0394933-A2 Polyphenylene sulfide resin composition TORAY INDUSTRIES, INC. (JP) 1990-10-31 EP disclosed