SCHEMBL8705442

SCHEMBL8705442

C#Cc1cc(-n2ccc(=O)cc2)c(S(C)(=O)=O)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
SLC9A3 P48764 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
KMT2A Q03164 2/20 0.35
VCAM1 P19320 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CDK1 P06493 1/20 0.32
EED O75530 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SDHB P21912 1/20 0.30

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
SCHEMBL8700069 0.89 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8700680 0.88 GAA (0.38) SLC9A1SLC9A3SLC9A2KMT2AKDM4E
SCHEMBL8700586 0.83 SLC9A1 (0.50) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8703472 0.82 KDM4E (0.41) SLC9A1SLC9A3SLC9A2KMT2AKDM4E
SCHEMBL8704148 0.82 EED (0.40) SLC9A1SLC9A3SLC9A2KMT2AKDM4E
SCHEMBL8703455 0.82 MAPT (0.41) SLC9A1SLC9A3SLC9A2KMT2AHSD17B10
SCHEMBL8703757 0.82 PKM (0.40) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8704888 0.82 HTT (0.41) SLC9A1SLC9A3SLC9A2KDM4E
SCHEMBL8700375 0.81 SLC9A1 (0.38) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8447247 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