SCHEMBL20084009

SCHEMBL20084009

CS(=O)(=O)c1cc(C(N)=O)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.50
SLC9A1 P19634 2/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
PARP1 P09874 1/20 0.43
PTK2B Q14289 1/20 0.42
AR P10275 1/20 0.41

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
SCHEMBL31400646 1.00 ACLY (0.50) ACLYSLC9A1SLC9A2PARP1PTK2B
SCHEMBL2778224 0.84 ACLY (0.51) ACLYPARP1PTK2BAR
SCHEMBL15836200 0.84 CMA1 (0.43) PTK2B
SCHEMBL2593426 0.84 PTK2B (0.58) ACLYPTK2B
SCHEMBL3283017 0.83 SLC9A1 (0.46) SLC9A1SLC9A2PARP1
SCHEMBL7832481 0.82 SLC9A1 (0.66) SLC9A1SLC9A2
SCHEMBL19157383 0.82 PTK2B (0.43) PTK2B
SCHEMBL9900899 0.82 PTK2B (0.42) SLC9A1SLC9A2PTK2B
SCHEMBL16990464 0.80 SLC9A1 (0.44) SLC9A1SLC9A2PARP1
SCHEMBL31401329 0.80 ALDH1A1 (0.51) SLC9A1SLC9A2PARP1

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-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed