SCHEMBL7777964

SCHEMBL7777964

O=Cc1c(I)ccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.54
HDAC8 Q9BY41 3/20 0.51
TBXAS1 P24557 4/20 0.47
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44

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
SCHEMBL8121810 0.86 TBXA2R (0.57) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL9015501 0.86 TBXA2R (0.64) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL7779038 0.84 TBXA2R (0.53) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL7777991 0.84 TBXA2R (0.53) TBXA2RHDAC8TBXAS1
SCHEMBL8114574 0.83 HDAC8 (0.50) TBXA2RHDAC8TBXAS1
SCHEMBL9015454 0.82 TBXA2R (0.60) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL7779014 0.82 TBXA2R (0.58) TBXA2RHDAC8TBXAS1
SCHEMBL9015461 0.80 TBXA2R (0.54) TBXA2RHDAC8TBXAS1
SCHEMBL7777976 0.79 TBXA2R (0.52) TBXA2RHDAC8TBXAS1
SCHEMBL9247878 0.77 TBXA2R (0.58) TBXA2RHDAC8TBXAS1

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-0864561-B1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-09-05 EP disclosed
US-6013667-A Benzenesulfonylamine compounds, process for preparing them and pharmaceutical compositions ADIR ET COMPAGNIE (FR) 2000-01-11 US disclosed
EP-0864561-A1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-16 EP disclosed