SCHEMBL9250159

SCHEMBL9250159

COC(=O)c1cc(Br)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.53
TBXA2R P21731 7/20 0.52
TBXAS1 P24557 4/20 0.45
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8115712 0.91 TBXA2R (0.52) HDAC8TBXA2RTBXAS1
SCHEMBL7778086 0.89 TBXA2R (0.57) HDAC8TBXA2RTBXAS1HDAC6
SCHEMBL8121045 0.82 HDAC8 (0.49) HDAC8TBXA2RTBXAS1
SCHEMBL8121042 0.82 HDAC8 (0.49) HDAC8TBXA2RTBXAS1
SCHEMBL7218356 0.82 TBXA2R (0.60) HDAC8TBXA2RTBXAS1
SCHEMBL9015401 0.81 TBXA2R (0.59) HDAC8TBXA2RTBXAS1
SCHEMBL9251138 0.80 TBXA2R (0.54) HDAC8TBXA2RTBXAS1
SCHEMBL9248492 0.80 TBXA2R (0.55) HDAC8TBXA2RTBXAS1
SCHEMBL9015416 0.79 HDAC8 (0.52) HDAC8TBXA2RTBXAS1
SCHEMBL464353 0.79 HDAC8 (0.76) HDAC8TBXA2RHDAC6

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
US-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed