SCHEMBL9018686

SCHEMBL9018686

CC(C)c1ccc(OC(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
PDE2A O00408 3/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL8612520 0.94 SLC9A1 (0.40) SLC9A1SLC9A2PDE2AKCNK3KCNK9
SCHEMBL12569789 0.85 CHEK1 (0.43) PDE2AKCNK3KCNK9EPHX1
SCHEMBL9018694 0.82 SLC9A1 (0.44) SLC9A1
SCHEMBL9018732 0.81 FFAR4 (0.40) SLC9A1
SCHEMBL12569956 0.80 IGF2BP2 (0.49) PDE2AKCNK3KCNK9
SCHEMBL9018679 0.80 NOS3 (0.40) SLC9A1EPHX1
SCHEMBL9018672 0.80 PIM1 (0.37) SLC9A1EPHX1
SCHEMBL9018665 0.80 SLC9A1 (0.48) SLC9A1SLC9A2PDE2AEPHX1
SCHEMBL9018666 0.78 PIM1 (0.40) SLC9A1PDE2A
SCHEMBL8610911 0.78 CFTR (0.50) SLC9A1SLC9A2

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