SCHEMBL8056232

SCHEMBL8056232

COC(=O)c1cc2c(cc1C(F)(F)F)/C(=N/O)CS2(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.38
NOTUM Q6P988 2/20 0.36
PDK2 Q15119 4/20 0.33
KCNN4 O15554 2/20 0.33
MAPT P10636 1/20 0.33
SOS1 Q07889 1/20 0.32
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL8056235 1.00 CFTR (0.38) CFTRNOTUMPDK2KCNN4MAPT
SCHEMBL8058221 0.89 CFTR (0.37) CFTRNOTUMPDK2KCNN4MAPT
SCHEMBL8058223 0.89 CFTR (0.37) CFTRNOTUMPDK2KCNN4MAPT
SCHEMBL8056507 0.84 CTSL (0.36) PDK2MAPT
SCHEMBL8056511 0.84 CTSL (0.36) PDK2MAPT
SCHEMBL8062894 0.84 CFTR (0.40) CFTRNOTUMPDK2KCNN4MAPT
SCHEMBL8056417 0.82 CFTR (0.39) CFTRNOTUMPDK2KCNN4MAPT
SCHEMBL8056990 0.82 KDM4E (0.34) MAPT
SCHEMBL8056988 0.82 KDM4E (0.34) MAPT
SCHEMBL8058145 0.80 CTSL (0.32) MAPT

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-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 US disclosed