SCHEMBL1866280

SCHEMBL1866280

CC(C(F)F)C1CNCCC1COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 8/20 0.36
GAA P10253 4/20 0.36
LMNA P02545 1/20 0.35
VCAM1 P19320 1/20 0.34
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
XDH P47989 1/20 0.34
SCN5A Q14524 1/20 0.34
POLB P06746 3/20 0.33
BRD4 O60885 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1700850 0.77 IKBKB (0.50) CA12CA1CA2CA9MAPT
SCHEMBL1700281 0.76 CA2 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1700283 0.76 CA2 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1700279 0.76 CA2 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1700347 0.73 HTR2A (0.46) CA12CA1CA2CA9MAPT
SCHEMBL1810202 0.70 CA2 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1810199 0.70 CA2 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1810197 0.70 CA2 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1700056 0.69 LMNA (0.51) CA12CA1CA2CA9MAPT
SCHEMBL1699921 0.69 BRD4 (0.45) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632436-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-09-04 EP disclosed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2012058392-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 WO disclosed
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