SCHEMBL8700295

SCHEMBL8700295

Cc1cc(N2CCCC(O)C2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.58
SLC9A3 P48764 1/20 0.58
SLC9A2 Q9UBY0 1/20 0.58

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
SCHEMBL8699639 0.90 SLC9A1 (0.49) SLC9A1
SCHEMBL8700058 0.89 SLC9A1 (0.48) SLC9A1
SCHEMBL8703688 0.88 SLC9A1 (0.48) SLC9A1
SCHEMBL7761294 0.87 SLC9A1 (0.68) SLC9A1SLC9A3SLC9A2
SCHEMBL7764853 0.86 SLC9A1 (0.69) SLC9A1SLC9A3SLC9A2
SCHEMBL7823576 0.83 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2
Hydrochloric Acid SCHEMBL7825457 0.82 SLC9A1 (0.61) SLC9A1SLC9A3SLC9A2
SCHEMBL8700175 0.82 KDM4E (0.36)
SCHEMBL8700387 0.79 SLC9A1 (0.44) SLC9A1
SCHEMBL8265379 0.76 SLC9A1 (0.59) 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 4 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 claimed
EP-0699666-A1 Heterocyclic substituted benzoylguanidine MERCK PATENT GmbH (DE) 1996-03-06 EP claimed
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