SCHEMBL27788992

SCHEMBL27788992

NCS(=O)(=O)OC1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
RET P07949 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
SCHEMBL8959338 0.80 HTR6 (0.31) HTR2AHTR6
SCHEMBL18775716 0.69 RET (0.36) HTR2AHTR6RET
SCHEMBL5150447 0.67 HTR2A (0.38) HTR2AHTR6RET
SCHEMBL7197990 0.67 HTR2A (0.38) HTR2AHTR6RET
SCHEMBL1680358 0.67 HTR2A (0.38) HTR2AHTR6RET
SCHEMBL1680359 0.67 RET (0.38) HTR2AHTR6RET
SCHEMBL5370598 0.67 HTR2A (0.34) HTR2AHTR6RET
SCHEMBL6700611 0.67 POLB (0.39) HTR2AHTR6RET
SCHEMBL5718862 0.67 RET (0.39) HTR2AHTR6RET
SCHEMBL4516491 0.67 RET (0.42) HTR2AHTR6RET

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
CN-101622225-A Methods for isolating propargylated aminoindans TEVA PHARMA 2010-01-06 CN claimed
CN-101622225-A Methods for isolating propargylated aminoindans TEVA PHARMA 2010-01-06 CN disclosed