SCHEMBL1745458

SCHEMBL1745458

O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.46
PPARG P37231 11/20 0.46
RXFP1 Q9HBX9 1/20 0.45
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
IDH1 O75874 1/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL1744606 0.88 LGALS8 (0.50)
SCHEMBL1742888 0.85 KAT6A (0.48)
SCHEMBL30313850 0.77 BCL2 (0.58)
SCHEMBL1742889 0.74 GPBAR1 (0.44) BRAFMEN1KMT2A
SCHEMBL30313994 0.74 BCL2 (0.61)
SCHEMBL30313809 0.73 BCL2 (0.58)
SCHEMBL4115298 0.72 CTNNB1 (0.48) KMT2A
SCHEMBL30752404 0.72 CTNNB1 (0.48) KMT2A
SCHEMBL8869584 0.72 TTBK1 (0.49) IDH1ESR1
SCHEMBL2730313 0.71 BCL2 (0.60)

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-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP claimed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US claimed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO claimed