SCHEMBL8394591

SCHEMBL8394591

[NH]CC1(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
HTR7 P34969 10/20 0.45
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HTR6 P50406 1/20 0.39
PSIP1 O75475 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR9 Q9NR96 1/20 0.38
APP P05067 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
SCHEMBL8391526 0.92 HTR7 (0.54) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL8394064 0.92 GAA (0.58) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL8392589 0.91 GAA (0.56) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL8396373 0.91 GAA (0.56) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL1103915 0.80 GAA (0.52) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL13378315 0.80 GAA (0.52) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL13908111 0.77 GAA (0.48) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL1103913 0.77 GAA (0.48) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL1103914 0.77 GAA (0.44) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL6097493 0.74 HTR7 (0.55) GAAMCOLN3HTR7HTR1AHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed