SCHEMBL8087112

SCHEMBL8087112

NOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
IDO1 P14902 2/20 0.52
KIF11 P52732 4/20 0.48
MAOB P27338 5/20 0.47
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
AOC3 Q16853 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 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
SCHEMBL9827725 0.93 CA1 (0.48) CA1CA2CA9IDO1KIF11
SCHEMBL16601558 0.87 KCNH2 (0.48) CA1CA2CA9IDO1KIF11
SCHEMBL28332871 0.80 ESR1 (0.50) CA1CA2CA9IDO1KIF11
SCHEMBL1685383 0.78 CA1 (0.52) CA1CA2CA9IDO1KIF11
SCHEMBL11148692 0.78 CA1 (0.52) CA1CA2CA9IDO1KIF11
SCHEMBL28332949 0.77 CA1 (0.34) CA1CA2CA9IDO1KIF11
SCHEMBL63468 0.76 ALDH1A1 (0.67) IDO1KIF11ALDH1A1TSHRTAAR1
SCHEMBL2581495 0.76 TDP1 (0.39) CA1CA2CA9IDO1ALDH1A1
SCHEMBL29377645 0.76 LTA4H (0.50) CA1CA2CA9IDO1KIF11
SCHEMBL92001 0.76 CA1 (0.50) CA1CA2CA9IDO1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490450-A Oxime-containing compound and application thereof 希格生科(深圳)有限公司 2025-02-21 CN disclosed
CN-101367749-B A set of mesidino mesitoyl derivant, preparation and application thereof INST MEDICINAL BIOTECHNOLOGY 2013-04-24 CN disclosed
WO-2009018807-A9 OXAZOLIDINONES AS FACTOR XA INHIBITORS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF IN THERAPY SCHEBO BIOTECH AG (DE) 2009-11-12 WO disclosed
CN-101367749-A A set of mesidino mesitoyl derivant, preparation and application thereof MEDICINE AND BIOENGINEERING IN (CN) 2009-02-18 CN disclosed
WO-2009018807-A1 NOVEL PHARMACEUTICALS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN THERAPY SCHEBO BIOTECH AG (DE) 2009-02-12 WO disclosed
WO-2009018811-A1 NOVEL PHARMACEUTICALS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN MEDICAL THERAPY SCHEBO BIOTECH AG (DE) 2009-02-12 WO disclosed
WO-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed
EP-0433451-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-06-26 EP disclosed
WO-1990001874-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1990-03-08 WO disclosed