SCHEMBL9018713

SCHEMBL9018713

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 12/20 0.47
KCNH2 Q12809 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL8613959 0.91 SLC9A1 (0.41) SLC9A1KCNH2SLC9A2
SCHEMBL9018746 0.89 SLC9A1 (0.61) SLC9A1KCNH2
SCHEMBL9018678 0.89 SLC9A1 (0.45) SLC9A1KCNH2SLC9A2CYP3A4CYP2C9
SCHEMBL8428391 0.87 SLC9A1 (0.44) SLC9A1KCNH2SLC9A2
SCHEMBL9018741 0.87 SLC9A1 (0.44) SLC9A1KCNH2SLC9A2
Hydrochloric Acid SCHEMBL8333472 0.86 SLC9A1 (0.43) SLC9A1KCNH2SLC9A2
SCHEMBL8612363 0.81 NOTUM (0.43) SLC9A1KCNH2
SCHEMBL8612636 0.81 SLC9A1 (0.53) SLC9A1KCNH2
SCHEMBL8611424 0.80 SLC9A1 (0.39) SLC9A1KCNH2
SCHEMBL9018665 0.78 SLC9A1 (0.48) 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