SCHEMBL8701748

SCHEMBL8701748

COC(=O)c1cc(S(C)(=O)=O)c(-n2cnc(C)c2)cc1CF

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.39
PSEN2 P49810 12/20 0.39
APH1B Q8WW43 12/20 0.39
NCSTN Q92542 12/20 0.39
APH1A Q96BI3 12/20 0.39
PSENEN Q9NZ42 12/20 0.39
SLC9A1 P19634 1/20 0.33
SLC9A3 P48764 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
NR2E1 Q9Y466 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8704076 0.91 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8705723 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8700661 0.85 SLC9A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8705014 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8703959 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8704528 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8702119 0.82 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2A
SCHEMBL8705327 0.81 HTT (0.41) MEN1KMT2A
SCHEMBL8700666 0.80 GAA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8703753 0.80 NR3C1 (0.33) KMT2A

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed