SCHEMBL9018720

SCHEMBL9018720

CC(C)c1cc(Cl)c(OC(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.36

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
SCHEMBL8612510 0.93 SLC9A1 (0.37) SLC9A1KCNK3KCNK9
SCHEMBL9018668 0.85 SLC9A1 (0.41) SLC9A1KCNK3KCNK9SLC9A2
SCHEMBL9018722 0.84 SLC9A1 (0.45) SLC9A1
SCHEMBL9018667 0.83 SLC9A1 (0.46) SLC9A1
SCHEMBL9018741 0.81 SLC9A1 (0.44) SLC9A1SLC9A2
SCHEMBL8612577 0.79 SLC9A1 (0.37) SLC9A1KCNK3KCNK9SLC9A2
SCHEMBL8609863 0.77 SLC9A1 (0.40) SLC9A1
SCHEMBL9018686 0.77 SLC9A1 (0.43) SLC9A1KCNK3KCNK9SLC9A2
SCHEMBL9018712 0.77 SLC9A1 (0.47) SLC9A1
SCHEMBL8611424 0.76 SLC9A1 (0.39) 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
EP-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed