SCHEMBL4960610

SCHEMBL4960610

O=S(=O)(Nc1ccccc1)c1cc(Cl)cc2c1OCCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
PGR P06401 3/20 0.42
MAPT P10636 2/20 0.40
ACLY P53396 2/20 0.40
IDH1 O75874 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PTK2B Q14289 1/20 0.38
ITGA1 P56199 1/20 0.38
PKLR P30613 1/20 0.38
AR P10275 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4524853 0.77 PGR (0.39) PKMPGRMAPTACLYIDH1
SCHEMBL4510370 0.75 ALPL (0.38) PKMPGRMAPTACLY
SCHEMBL27940616 0.72 PKLR (0.46) PKMMAPTACLYPKLR
SCHEMBL23415915 0.71 PKM (0.48) PKMMAPTACLY
SCHEMBL4514681 0.70 CNR2 (0.37) MAPTACLYIDH1HSP90AA1HSP90AB1
SCHEMBL31696798 0.68 MAPK1 (0.70) PGRMAPTHSP90AA1HSP90AB1ITGA1
SCHEMBL21046810 0.68 HTR3A (0.37) PKMMAPTIDH1
SCHEMBL29682808 0.68 HTR3A (0.37) PKMMAPTIDH1
SCHEMBL23505785 0.66 NOTUM (0.49)
SCHEMBL27561521 0.66 ALPL (0.69) PGRACLYIDH1HSP90AA1HSP90AB1

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-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed