SCHEMBL8559321

SCHEMBL8559321

CC(C)(C)OC(=O)c1cnc(NN)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 4/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CFTR P13569 3/20 0.35
CNR2 P34972 3/20 0.34
ASPH Q12797 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL3594274 0.82 NNMT (0.48) JUNNFKB1NFKB2RELANPSR1
SCHEMBL16454401 0.81 JUN (0.43) MAPTJUNNFKB1NFKB2RELA
SCHEMBL17796812 0.79 MAPT (0.45) MAPTJUNNFKB1NFKB2RELA
SCHEMBL17808271 0.79 MAPT (0.40) MAPTJUNNFKB1NFKB2RELA
SCHEMBL16119847 0.78 MAPK8 (0.33) JUNNFKB1NFKB2RELAMAPK8
SCHEMBL18699191 0.75 MAPT (0.37) MAPTJUNNFKB1NFKB2RELA
SCHEMBL8722111 0.73 NFKB1 (0.60) MAPTJUNNFKB1NFKB2RELA
SCHEMBL20772274 0.70 ALDH1A1 (0.40) MAPTPOLBALDH1A1ASPHAR
SCHEMBL23775233 0.70 NNMT (0.62) MAPTKDM4EPOLBALDH1A1NPSR1
SCHEMBL16455673 0.70 POLB (0.47) MAPTJUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed