SCHEMBL7764019

SCHEMBL7764019

COc1ccc(N(C)c2cc(C)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.57

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
SCHEMBL8632179 0.89 SLC9A1 (0.54) SLC9A1
SCHEMBL7768620 0.88 SLC9A1 (0.44) SLC9A1
SCHEMBL7766624 0.87 SLC9A1 (0.60) SLC9A1
SCHEMBL7764817 0.87 SLC9A1 (0.60) SLC9A1
SCHEMBL7766587 0.87 SLC9A1 (0.62) SLC9A1
SCHEMBL7761267 0.85 SLC9A1 (0.60) SLC9A1
SCHEMBL7764080 0.84 SLC9A1 (0.56) SLC9A1
SCHEMBL8293485 0.84 SLC9A1 (0.56) SLC9A1
SCHEMBL7766601 0.84 SLC9A1 (0.56) SLC9A1
SCHEMBL8634267 0.83 KEAP1 (0.41)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723963-B1 4-amino-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
EP-0723963-A1 4-amino-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed