SCHEMBL9203595

SCHEMBL9203595

O=C(c1cccnc1)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.70
TBXA2R P21731 3/20 0.70
HDAC8 Q9BY41 6/20 0.61
HDAC6 Q9UBN7 1/20 0.51
CCR9 P51686 1/20 0.50
EGFR P00533 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL8884470 0.83 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8884464 0.83 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9210620 0.82 TBXA2R (0.56) TBXAS1TBXA2RHDAC8EGFRPTGS2
SCHEMBL8883349 0.77 HDAC8 (0.52) TBXAS1TBXA2RHDAC8HDAC6
SCHEMBL8883245 0.76 TBXAS1 (0.80) TBXAS1TBXA2R
SCHEMBL8883244 0.76 TBXAS1 (0.80) TBXAS1TBXA2R
SCHEMBL462300 0.76 HDAC8 (0.81) TBXAS1TBXA2RHDAC8HDAC6
SCHEMBL442975 0.76 HDAC8 (1.00) TBXA2RHDAC8HDAC6
SCHEMBL8883009 0.75 TBXAS1 (0.88) TBXAS1TBXA2R
SCHEMBL8884819 0.75 TBXAS1 (0.88) TBXAS1TBXA2R

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-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 EP disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 EP disclosed