SCHEMBL7764083

SCHEMBL7764083

CCc1cc(Nc2cccc(C(F)(F)F)c2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43

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
SCHEMBL7765517 0.89 SLC9A1 (0.44)
SCHEMBL7764123 0.88 SLC9A1 (0.54)
SCHEMBL7765627 0.87 SLC9A1 (0.44)
SCHEMBL7764091 0.86 SLC9A1 (0.48)
SCHEMBL7768698 0.85
SCHEMBL8632259 0.85 YAP1 (0.49) YAP1TEAD4TEAD2
SCHEMBL7768696 0.83 PDE4B (0.44)
SCHEMBL7766539 0.83 PDE4B (0.42)
SCHEMBL7766594 0.82 SLC9A1 (0.44)
SCHEMBL7764085 0.82 SLC9A1 (0.46)

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
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