SCHEMBL8609014

SCHEMBL8609014

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
SLC9A1 P19634 4/20 0.39
CFTR P13569 2/20 0.39
SOS1 Q07889 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9018687 0.92 SLC9A1 (0.41) SLC9A1KCNH2
SCHEMBL27367261 0.88 NOTUM (0.54) NOTUMCFTRSOS1
SCHEMBL8609826 0.87 SLC9A1 (0.42) SLC9A1CFTRKCNH2
SCHEMBL8613931 0.85 NOTUM (0.47) NOTUMSLC9A1CFTRSOS1KCNH2
SCHEMBL8610545 0.85 NOTUM (0.47) NOTUMSLC9A1CFTRSOS1KCNH2
SCHEMBL8612573 0.84 MC4R (0.37) SLC9A1SOS1KCNH2
SCHEMBL8611003 0.83 NOTUM (0.48) NOTUMSLC9A1CFTRSOS1KCNH2
SCHEMBL8610929 0.83 SLC9A1 (0.39) SLC9A1CFTRKCNH2
SCHEMBL8612363 0.81 NOTUM (0.43) NOTUMSLC9A1CFTRSOS1KCNH2
SCHEMBL8653264 0.79 SLC9A1 (0.41) NOTUMSLC9A1CFTRSOS1KCNH2

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