SCHEMBL9599324

SCHEMBL9599324

O=S(=O)(c1ccccc1)c1cccc(-c2ccc(S)cc2)c1-c1ccc(S)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.42
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.38
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP12 P39900 4/20 0.37
MMP13 P45452 4/20 0.37
MMP14 P50281 4/20 0.37
MMP8 P22894 3/20 0.37
MMP16 P51512 3/20 0.37
MMP3 P08254 3/20 0.37
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL1028866 0.84 POLB (0.49) HTR6KMT2APTGS2MMP1MMP2
SCHEMBL28049491 0.80 PTGS2 (0.46) HTR6KMT2APTGS2MMP1MMP2
SCHEMBL537547 0.79 AKR1B1 (0.42) HTR6PTGS2HTTGAAALDH1A1
SCHEMBL7871344 0.78 PTGS2 (0.49) KMT2APTGS2MMP1MMP2MMP9
SCHEMBL8844836 0.77 HTR6 (0.55) HTR6KMT2APTGS2MMP1MMP2
SCHEMBL10866424 0.76 HTR6 (0.35) HTR6KMT2APTGS2MMP1MMP2
SCHEMBL9242466 0.74 HTR6 (0.55) HTR6KMT2APTGS2MMP1MMP2
SCHEMBL29700218 0.73 HNF4A (0.49) HTR6KMT2APTGS2MMP1MMP2
SCHEMBL28348378 0.73 HNF4A (0.49) HTR6KMT2APTGS2MMP1MMP2
SCHEMBL2221501 0.73 MCL1 (0.44) MMP1MMP2MMP9MMP12MMP13

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
US-5194545-A Laminates for printed circuits, electrical coil cores or space craft PETROCHEMIE DANUBIA GESELLSCHAFT M.B.H. (AT) 1993-03-16 US disclosed
US-5164476-A Fibers, films, sulfide and sulfone groups in backbone CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1992-11-17 US disclosed
US-5130444-A With or without the addition of aromatic diamine; flexible, reinforcement with fibers PCD POLYMERE GESELLSCHAFT M.B.H. (AT) 1992-07-14 US disclosed