SCHEMBL7765517

SCHEMBL7765517

CCc1cc(Nc2ccc(C(F)(F)F)cc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.44

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
SCHEMBL7764083 0.89 YAP1 (0.43)
SCHEMBL7764085 0.89 SLC9A1 (0.46) SLC9A1
SCHEMBL7764901 0.88 SLC9A1 (0.57) SLC9A1
SCHEMBL7765594 0.86
SCHEMBL7764144 0.86 SLC9A1 (0.46) SLC9A1
SCHEMBL7764091 0.86 SLC9A1 (0.48) SLC9A1
SCHEMBL7765565 0.84 SLC9A1 (0.44) SLC9A1
SCHEMBL7764117 0.84 AKR1C3 (0.42)
SCHEMBL7764854 0.84 SLC9A1 (0.44) SLC9A1
SCHEMBL7766594 0.83 SLC9A1 (0.44) 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 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