SCHEMBL8705014

SCHEMBL8705014

COC(=O)c1cc(S(C)(=O)=O)c(-n2cnc(C)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.43
PSEN2 P49810 11/20 0.43
APH1B Q8WW43 11/20 0.43
NCSTN Q92542 11/20 0.43
APH1A Q96BI3 11/20 0.43
PSENEN Q9NZ42 11/20 0.43
NR1I2 O75469 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 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
SCHEMBL8700661 0.88 SLC9A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8705723 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8704076 0.85 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8447882 0.84 SLC9A1 (0.53)
SCHEMBL8701748 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8700666 0.83 GAA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8704528 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8703959 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8701738 0.80 SLC9A1 (0.49) NR1I2FGFR1SRC
SCHEMBL8704442 0.80 AAK1 (0.45) NR1I2TSHRMAPK1FGFR1SRC

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