SCHEMBL8699634

SCHEMBL8699634

COC(=O)c1cc(S(C)(=O)=O)c(-n2cccc2)cc1C(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.46
SLC9A3 P48764 1/20 0.46
SLC9A2 Q9UBY0 1/20 0.46
KMT2A Q03164 2/20 0.42
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VCAM1 P19320 1/20 0.32
FBP1 P09467 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SDHB P21912 1/20 0.32

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
SCHEMBL8702221 0.89 SLC9A1 (0.37) SLC9A1SLC9A3SLC9A2KMT2ACA1
SCHEMBL8703295 0.85 HTT (0.41) SLC9A1SLC9A3SLC9A2MAPTKDM4E
SCHEMBL8700610 0.83 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2KMT2ACA1
SCHEMBL6927272 0.82 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2KMT2AMAPT
SCHEMBL8703959 0.82 PSEN1 (0.39) SLC9A1SLC9A3SLC9A2TSHR
SCHEMBL8701738 0.81 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2KMT2AKDM4E
SCHEMBL8702119 0.80 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2ACA1
SCHEMBL8444301 0.80 SLC9A1 (0.71) SLC9A1SLC9A3SLC9A2
SCHEMBL8574698 0.78 HTT (0.40) KMT2ACA1CA2CA5ACA9
SCHEMBL8707552 0.78 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2AKDM4E

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