SCHEMBL8700387

SCHEMBL8700387

Cc1c(C(=O)N=C(N)N)ccc(N2CCCC(O)C2)c1S(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.44
BTK Q06187 2/20 0.39

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
SCHEMBL27362677 0.87 BTK (0.38) BTK
SCHEMBL8700098 0.87 SLC9A1 (0.42) SLC9A1
SCHEMBL8707770 0.86 SLC9A1 (0.59) SLC9A1
SCHEMBL8704819 0.82 BTK (0.39) BTK
SCHEMBL8700295 0.79 SLC9A1 (0.58) SLC9A1
SCHEMBL8699639 0.77 SLC9A1 (0.49) SLC9A1
SCHEMBL8700058 0.76 SLC9A1 (0.48) SLC9A1
SCHEMBL8703688 0.76 SLC9A1 (0.48) SLC9A1
SCHEMBL27350408 0.74 LMNA (0.36) BTK
SCHEMBL8704441 0.74 SLC9A1 (0.59) 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