SCHEMBL4392007

SCHEMBL4392007

Nc1ccc(C(F)(F)F)c(-c2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 4/20 0.41
POLB P06746 1/20 0.40
FABP4 P15090 1/20 0.39
KIF11 P52732 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
BACE1 P56817 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.34
CYP11B2 P19099 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL873631 0.85 L3MBTL1 (0.37) L3MBTL1ACHEPOLBKIF11MAOA
SCHEMBL29269100 0.81 ALDH1A1 (0.46) L3MBTL1ACHEPOLBFABP4ADORA3
SCHEMBL3781200 0.80 FABP4 (0.47) L3MBTL1ACHEPOLBFABP4KIF11
SCHEMBL24129921 0.79 ACHE (0.44) L3MBTL1ACHEPOLBFABP4KIF11
SCHEMBL27607673 0.78 ESR1 (0.46) L3MBTL1ACHEFABP4KIF11FFAR4
SCHEMBL3824173 0.78 FABP4 (0.54) L3MBTL1POLBFABP4HSD17B10KDM4E
SCHEMBL614879 0.77 ALDH1A1 (0.44) ADORA2AMAOAMAOBHSD17B10KDM4E
SCHEMBL29799881 0.77 ALDH1A1 (0.44) ADORA2AMAOAMAOBHSD17B10KDM4E
SCHEMBL4776531 0.76 FABP4 (0.46) L3MBTL1FABP4HSD17B10KDM4EALDH1A1
SCHEMBL2597832 0.74 FABP4 (0.53) L3MBTL1ACHEPOLBFABP4KIF11

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
CN-103228704-A Polyimide precursor, polyimide, and material for use in preparation thereof UBE INDUSTRIES 2013-07-31 CN disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed