SCHEMBL8612573

SCHEMBL8612573

CCc1cc(Br)c(OC(F)(F)F)cc1C(=O)N=C(N)N.CCc1cc(Br)c(OC(F)(F)F)cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
KCNH2 Q12809 1/20 0.37
SOS1 Q07889 1/20 0.34
SLC9A1 P19634 3/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL9018695 0.93 MC4R (0.38) MC4RKCNH2SLC9A1PLAU
SCHEMBL8609018 0.86 SLC9A1 (0.36) MC4RKCNH2SOS1SLC9A1PLAU
SCHEMBL8610974 0.86 SOS1 (0.36) MC4RKCNH2SOS1SLC9A1PLAU
SCHEMBL8613375 0.84 SLC9A1 (0.40) SLC9A1
SCHEMBL8609014 0.84 NOTUM (0.43) KCNH2SOS1SLC9A1
SCHEMBL8612577 0.81 SLC9A1 (0.37) MC4RKCNH2SOS1SLC9A1
SCHEMBL8614188 0.81 MRGPRX4 (0.40) SLC9A1
SCHEMBL8608691 0.80 SLC9A1 (0.40) SLC9A1
SCHEMBL9018711 0.79 PLAU (0.41) MC4RKCNH2SLC9A1PLAU
SCHEMBL9018721 0.79 PLAU (0.41) MC4RKCNH2SLC9A1PLAU

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