SCHEMBL8396704

SCHEMBL8396704

[NH]C1(S(=O)(=O)c2ccccc2)CCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
MCOLN3 Q8TDD5 1/20 0.62
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
HTR7 P34969 1/20 0.42
RORC P51449 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.39
CYP2D6 P10635 1/20 0.39
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL8393842 1.00 GAA (0.62) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL8393598 0.98 GAA (0.64) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL8393942 0.94 GAA (0.59) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL8396917 0.90 GAA (0.57) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL11785253 0.81 KMT2A (0.65) GAAITGB1ITGA4SMN1; SMN2KMT2A
SCHEMBL7541549 0.79 GAA (0.96) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL3193960 0.79 GAA (0.96) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL3193854 0.77 GAA (1.00) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL8396373 0.76 GAA (0.56) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL8392589 0.76 GAA (0.56) GAAMCOLN3PSEN1PSEN2APH1B

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