SCHEMBL8613375

SCHEMBL8613375

COC(=O)c1cc(OC(F)(F)F)c(Br)cc1C.Cc1cc(Br)c(OC(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.40

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
SCHEMBL9018682 0.93 SLC9A1 (0.46) SLC9A1
SCHEMBL8609018 0.88 SLC9A1 (0.36) SLC9A1
SCHEMBL8610974 0.88 SOS1 (0.36) SLC9A1
SCHEMBL8609863 0.86 SLC9A1 (0.40) SLC9A1
SCHEMBL8613937 0.85 SLC9A1 (0.38) SLC9A1
SCHEMBL8612573 0.84 MC4R (0.37) SLC9A1
SCHEMBL8611003 0.83 NOTUM (0.48) SLC9A1
SCHEMBL8612577 0.83 SLC9A1 (0.37) SLC9A1
SCHEMBL8608691 0.81 SLC9A1 (0.40) SLC9A1
SCHEMBL9018721 0.81 PLAU (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747539-A Fluorine-containing benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed