SCHEMBL28964530

SCHEMBL28964530

CS(=O)(=O)n1cc(CCO)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.69
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1F P30939 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 1/20 0.50
IDE P14735 1/20 0.47

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
SCHEMBL7671291 0.89 HTR6 (0.66) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10820371 0.86 HTR6 (0.71) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5496958 0.82 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL11992443 0.82 HTR6 (0.73) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7894537 0.82 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
Oxalic Acid SCHEMBL7441099 0.81 HTR6 (0.65) HTR6HTR1DHTR1BHTR7
SCHEMBL7667063 0.81 HTR6 (0.64) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7441602 0.80 HTR6 (0.60) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10819615 0.78 HTR6 (0.61) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7441595 0.77 HTR6 (0.60) HTR6HTR1ADRD2HTR1DHTR1B

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
CN-115772183-A Indolylethyl fluoroboric acid derivatives, and preparation method and application thereof 复旦大学 2023-03-10 CN disclosed