SCHEMBL6386396

SCHEMBL6386396

O=S(=O)(O)c1ccc(C=Cc2ccccc2)c(C2NCc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC6 Q9UBN7 1/20 0.35
MMP8 P22894 4/20 0.35
MMP3 P08254 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SNCA P37840 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
SCHEMBL6386388 1.00 HTR2A (0.38) HTR2AHTR2CKCNH2HDAC6MMP8
SCHEMBL6829610 0.79 TDP1 (0.37) MMP8MMP3CA1CA2CA7
SCHEMBL6829614 0.79 TDP1 (0.37) MMP8MMP3CA1CA2CA7
SCHEMBL1563134 0.78 TDP1 (0.36) MMP8MMP3CA1CA2CA7
SCHEMBL8203494 0.73 CA1 (0.36) MEN1KMT2ACA1
SCHEMBL8203499 0.73 CA1 (0.36) MEN1KMT2ACA1
SCHEMBL7162237 0.72 RAD1 (0.36) LMNAALDH1A1TSHR
SCHEMBL4931539 0.70 HTR2A (0.46) HTR2AHTR2CKCNH2HDAC6TSHR
SCHEMBL1563133 0.69 PRCP (0.37) MMP8MMP3MEN1KMT2AALDH1A1
SCHEMBL1563131 0.69 PRCP (0.37) MMP8MMP3MEN1KMT2AALDH1A1

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
EP-1606376-A1 COMPOSITIONS COMPRISING COMPLEXES OF CYCLODEXTRIN AND AT LEAST ONE LAUNDRY TREATMENT ACTIVE THE PROCTER & GAMBLE COMPANY (US) 2005-12-21 EP disclosed
WO-2004085590-A1 COMPOSITIONS COMPRISING COMPLEXES OF CYCLODEXTRIN AND AT LEAST ONE LAUNDRY TREATMENT ACTIVE THE PROCTER & GAMBLE COMPANY (US) 2004-10-07 WO disclosed