SCHEMBL17801608

SCHEMBL17801608

O=c1cc2cc(F)c(NS(=O)(=O)c3ccc(C4CC(O)C(F)(F)C4)s3)cc2c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATIC P31939 12/20 0.46
THRB P10828 1/20 0.34

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
SCHEMBL17801582 0.85 ATIC (0.46) ATICTHRB
SCHEMBL17808411 0.83 ATIC (0.66) ATICTHRB
SCHEMBL17801496 0.77 ATIC (0.51) ATICTHRB
SCHEMBL17801523 0.75 THRB (0.57) ATICTHRB
SCHEMBL17801500 0.74 ATIC (0.54) ATIC
SCHEMBL17801458 0.73 ATIC (0.46) ATICTHRB
SCHEMBL17801597 0.69 ATIC (0.50) ATICTHRB
SCHEMBL17808402 0.68 ATIC (0.68) ATICTHRB
SCHEMBL17801645 0.68 ATIC (0.68) ATICTHRB
SCHEMBL17808576 0.68 ATIC (0.68) ATICTHRB

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-3227279-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS Eli Lilly and Company (US) 2017-10-11 EP disclosed
WO-2016089670-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2016-06-09 WO disclosed