SCHEMBL3831074

SCHEMBL3831074

CCC(CC)C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cccn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HTR6 P50406 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
ACLY P53396 1/20 0.36
DUT P33316 1/20 0.35
GUSB P08236 2/20 0.35
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
CCR4 P51679 1/20 0.33
PTGER3 P43115 11/20 0.33
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER2 P43116 1/20 0.31
PTGIR P43119 1/20 0.31
NR3C1 P04150 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
SCHEMBL3317868 0.82 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3318127 0.67 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12534008 0.64 ATM (0.41) CYP3A4
SCHEMBL1169218 0.63 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3318883 0.63 CYP2C18 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3319675 0.62 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7067959 0.61 KDM4E (0.56) PTGES2ACLY
SCHEMBL12228293 0.61 PTGES2 (0.49) HTR6PTGES2ACLYDUTCCR1
SCHEMBL3318402 0.60 CYP2C9 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3322175 0.60 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-1709003-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH CORP (US) 2009-09-23 EP claimed