SCHEMBL8700098

SCHEMBL8700098

CCc1c(C(=O)N=C(N)N)ccc(N2CCCC(O)C2)c1S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.42

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
SCHEMBL27350408 0.88 LMNA (0.36)
SCHEMBL8700387 0.87 SLC9A1 (0.44) SLC9A1
SCHEMBL8704001 0.87 SLC9A1 (0.56) SLC9A1
SCHEMBL8703772 0.83 KDM4E (0.37)
SCHEMBL8703688 0.79 SLC9A1 (0.48) SLC9A1
SCHEMBL8704354 0.76 SLC9A1 (0.53) SLC9A1
SCHEMBL8700295 0.75 SLC9A1 (0.58) SLC9A1
SCHEMBL8699639 0.75 SLC9A1 (0.49) SLC9A1
SCHEMBL8533382 0.75 SLC9A1 (0.49) SLC9A1
SCHEMBL8530357 0.74 SLC9A1 (0.51) SLC9A1

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
US-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed
EP-0699666-A1 Heterocyclic substituted benzoylguanidine MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed