SCHEMBL8976440

SCHEMBL8976440

C=Cc1cccc[n+]1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 2/20 0.32
HRH1 P35367 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
Water SCHEMBL8975881 0.98 HDAC8 (0.46) HDAC8TDP1KDM4EALDH1A1MAPT
SCHEMBL11411755 0.81 HDAC8 (0.47) HDAC8TDP1
SCHEMBL31506477 0.81 HDAC8 (0.47) HDAC8TDP1
Styrene SCHEMBL11420203 0.74 ALDH1A1 (0.45) HDAC8TDP1ALDH1A1TSHR
Sulfuric Acid SCHEMBL30071023 0.73 HDAC8 (0.72) HDAC8TDP1KDM4EALDH1A1MAPT
Water SCHEMBL4556714 0.72 POLB (0.32)
SCHEMBL7057933 0.70 HDAC8 (0.44) HDAC8TDP1KDM4EALDH1A1MAPT
SCHEMBL16087656 0.69 SMN1; SMN2 (0.35) TDP1KDM4ETSHRSMN1; SMN2
SCHEMBL150281 0.68 HDAC8 (0.42) HDAC8KDM4EALDH1A1MAPTCTDSP1
SCHEMBL150282 0.68 HDAC8 (0.42) HDAC8KDM4EALDH1A1CTDSP1ACHE

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
EP-0532687-B1 SEMIPERMEABLE COMPOSITE MEMBRANE TNO (NL) 1996-04-17 EP claimed
US-4222881-A POLYELECTROLYTE OF A VINYL PYRIDINIUM SULFONATE MOBIL OIL CORPORATION (US) 1980-09-16 US claimed
US-4222881-A POLYELECTROLYTE OF A VINYL PYRIDINIUM SULFONATE MOBIL OIL CORPORATION (US) 1980-09-16 US disclosed