SCHEMBL9018709

SCHEMBL9018709

Cc1cc(OC(F)F)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.39
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8610125 0.88 SLC9A1 (0.61) SLC9A1
SCHEMBL9018688 0.81 SLC9A1 (0.67) SLC9A1
SCHEMBL9018700 0.79 SLC9A1 (0.39) SLC9A1
SCHEMBL7797862 0.79 EGLN1 (0.43) SLC9A1
SCHEMBL9018697 0.78 PKM (0.50) KDM4ENPSR1
SCHEMBL5190885 0.77 SLC9A1 (0.59) SLC9A1KDM4E
SCHEMBL8059436 0.75 NR1H4 (0.46)
SCHEMBL8440231 0.75 CYP1A2 (0.43)
SCHEMBL7764035 0.74 SLC9A1 (0.45) SLC9A1
SCHEMBL8442624 0.74 MCL1 (0.45) 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