SCHEMBL6829610

SCHEMBL6829610

O=S(=O)(O)c1ccc(/C=C/c2ccc(C3NCc4ccccc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
PRCP P42785 4/20 0.37
GAA P10253 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
GID4 Q8IVV7 1/20 0.35
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6829614 1.00 TDP1 (0.37) TDP1PRCPGAACA1CA2
SCHEMBL1563134 0.99 TDP1 (0.36) TDP1PRCPGAACA1CA2
SCHEMBL1563131 0.87 PRCP (0.37) PRCPGAACA1CA2CA7
SCHEMBL1563133 0.87 PRCP (0.37) PRCPGAACA1CA2CA7
SCHEMBL1563035 0.80 PRCP (0.46) PRCPGAACA1SMN1; SMN2TSHR
SCHEMBL1563034 0.80 PRCP (0.46) PRCPGAACA1SMN1; SMN2TSHR
SCHEMBL6386396 0.79 HTR2A (0.38) CA1CA2CA7CA14MMP8
SCHEMBL6386388 0.79 HTR2A (0.38) CA1CA2CA7CA14MMP8
SCHEMBL1563824 0.79 PRCP (0.59) PRCPGAAGID4RECQL
SCHEMBL1563826 0.79 PRCP (0.59) PRCPGAAGID4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462512-A1 Compositions comprising complexes of cyclodextrin and at least one laundry treatment active THE PROCTER & GAMBLE COMPANY (US) 2004-09-29 EP disclosed