SCHEMBL8699798

SCHEMBL8699798

COC(=O)c1cc(S(C)(=O)=O)c(-n2ccc(=O)cc2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.39
SLC9A1 P19634 1/20 0.37
SLC9A3 P48764 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
SDHB P21912 1/20 0.36
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.35
VCAM1 P19320 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 2/20 0.34
MBOAT4 Q96T53 1/20 0.33
RBP4 P02753 1/20 0.33

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
SCHEMBL8703757 0.84 PKM (0.40) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8700586 0.83 SLC9A1 (0.50) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8704148 0.82 EED (0.40) SLC9A1SLC9A3SLC9A2KMT2A
SCHEMBL8703455 0.82 MAPT (0.41) SLC9A1SLC9A3SLC9A2KMT2A
SCHEMBL8703472 0.82 KDM4E (0.41) CFTRSLC9A1SLC9A3SLC9A2KMT2A
SCHEMBL8700122 0.82 ALDH1A1 (0.42) CFTRSDHBKMT2ANR1H2NR1H3
SCHEMBL8700491 0.81 SLC9A1 (0.37) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8702221 0.81 SLC9A1 (0.37) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8700375 0.81 SLC9A1 (0.38) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8447969 0.81 SLC9A1 (0.57) SLC9A1SLC9A3SLC9A2

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed