SCHEMBL4056578

SCHEMBL4056578

O=[N+]([O-])c1ccccc1Nc1ccc(F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CASP7 P55210 1/20 0.56
EPAS1 Q99814 1/20 0.54
MAPT P10636 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KAT2B Q92831 2/20 0.45
PHGDH O43175 1/20 0.42
POLB P06746 1/20 0.42
ABCG2 Q9UNQ0 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
SCHEMBL4054385 0.89 MAPK1 (0.57) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL3571014 0.83 MAPK1 (0.62) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL397773 0.82 MAPK1 (0.77) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL4940492 0.79 EPAS1 (0.56) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL4064354 0.79 EPAS1 (0.59) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL30615510 0.79 EPAS1 (0.56) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL22583718 0.77 MAPK1 (0.51) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL28073238 0.77 MAPK1 (0.51) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL4057190 0.77 MAPK1 (0.59) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL3609055 0.76 EPAS1 (0.63) MAPK1L3MBTL1ALDH1A1TDP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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