SCHEMBL1863585

SCHEMBL1863585

NS(=O)(=O)c1cnc(OCC2(CF)CCNCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.35
SCN9A Q15858 5/20 0.34
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CHRNA7 P36544 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
SCN5A Q14524 2/20 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
SCHEMBL1959260 0.87 IRAK4 (0.38) SOS1SCN9AIKBKBCHUKCA1
SCHEMBL1867175 0.81 SOS1 (0.45) SOS1CA1CA2CA9
Trifluoroacetic Acid SCHEMBL1700071 0.80 IRAK4 (0.37) SOS1SCN9ACA1CA2CA9
SCHEMBL1870366 0.79 SCN9A (0.32) SCN9A
SCHEMBL29629045 0.76 IKBKB (0.50) SCN9AIKBKBCHUK
SCHEMBL1700464 0.75 SCN9A (0.37) SCN9ACA1CA2CA9SCN5A
SCHEMBL1700371 0.75 BCL2 (0.37) SCN9ACA1CA2CA9SCN5A
SCHEMBL1700623 0.75 SCN9A (0.39) SCN9ACA1CA2CA9SCN5A
SCHEMBL1700364 0.74 SCN9A (0.33) SCN9AIKBKBCHUK
SCHEMBL1700543 0.74 SCN9A (0.40) SCN9ACA1CA2CA9SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 EP disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 WO disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed