SCHEMBL1958653

SCHEMBL1958653

COC(=O)c1ccc(F)cc1Oc1cccc(/[N+](Cl)=C\C(F)(F)F)c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
EPAS1 Q99814 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL1954937 0.88 FFAR4 (0.37) PDK2FFAR4SLC6A4SLC6A3EPAS1
SCHEMBL1958771 0.76 ALDH1A1 (0.45) PDK2FFAR4SLC6A4SLC6A3ALDH1A1
SCHEMBL3500510 0.73 PDK2 (0.38) PDK2FFAR4SLC6A4SLC6A3EPAS1
SCHEMBL1958655 0.73 PDK2 (0.38) PDK2FFAR4SLC6A4SLC6A3EPAS1
SCHEMBL1958956 0.72 GCK (0.45) FFAR4SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL1956620 0.72 FFAR4 (0.44) PDK2FFAR4SLC6A4SLC6A3ALDH1A1
SCHEMBL1959198 0.71 SLC6A3 (0.51) FFAR4SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL1958330 0.70 CA12 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3498808 0.70 ALOX5 (0.41) PDK2FFAR4SLC6A4SLC6A3ALDH1A1
SCHEMBL1957713 0.69 ALOX5 (0.40) PDK2FFAR4SLC6A4SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed