SCHEMBL8612840

SCHEMBL8612840

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
KCNH2 Q12809 1/20 0.45
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CFTR P13569 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9018669 0.92 SLC9A1 (0.51) SLC9A1KCNH2CYP2D6CYP2C9CYP2C19
SCHEMBL8611037 0.86 SLC9A1 (0.50) SLC9A1KCNH2CFTR
SCHEMBL8611003 0.85 NOTUM (0.48) SLC9A1KCNH2CFTR
SCHEMBL8613937 0.84 SLC9A1 (0.38) SLC9A1GAA
SCHEMBL8611156 0.82 SLC9A1 (0.47) SLC9A1KCNH2CFTR
SCHEMBL8612636 0.81 SLC9A1 (0.53) SLC9A1KCNH2
SCHEMBL9018703 0.80 SLC9A1 (0.43) SLC9A1KCNH2CYP2D6CYP2C9CYP2C19
SCHEMBL9018663 0.76 SLC9A1 (0.43) SLC9A1
SCHEMBL7799903 0.76 SLC9A1 (0.57) SLC9A1KCNH2
SCHEMBL9018708 0.76 SLC9A1 (0.57) SLC9A1KCNH2

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