SCHEMBL8700058

SCHEMBL8700058

CS(=O)(=O)c1cc(C(=O)N=C(N)N)c(Cl)cc1N1CCCC(O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.48

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
SCHEMBL8700295 0.89 SLC9A1 (0.58) SLC9A1
SCHEMBL8699639 0.89 SLC9A1 (0.49) SLC9A1
SCHEMBL8703688 0.87 SLC9A1 (0.48) SLC9A1
SCHEMBL7823474 0.83
Hydrochloric Acid SCHEMBL7835986 0.82
SCHEMBL8705336 0.82 ALDH1A1 (0.37)
SCHEMBL8700387 0.76 SLC9A1 (0.44) SLC9A1
SCHEMBL7838555 0.76
SCHEMBL7761294 0.74 SLC9A1 (0.68) SLC9A1
SCHEMBL8700098 0.74 SLC9A1 (0.42) 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