SCHEMBL9779997

SCHEMBL9779997

CN1C(=O)CN(c2ccc(F)c(F)c2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP11B2 P19099 1/20 0.34
PTGS2 P35354 1/20 0.33
AR P10275 1/20 0.33
SLC6A2 P23975 1/20 0.32
RAD51 Q06609 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
ALOX5 P09917 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31

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
SCHEMBL9779995 0.82 MEN1 (0.39) TSHRMEN1KMT2AGAAMMP2
SCHEMBL9779976 0.80 ALOX5 (0.51) DRD2MEN1KMT2AGAAALOX5
SCHEMBL9780043 0.79 ALDH1A1 (0.42) TSHRMEN1KMT2AGAAPOLB
SCHEMBL9780037 0.79 ALOX5 (0.46) GAAALOX5POLB
SCHEMBL9779956 0.78 ALOX5 (0.53) HTR1AMEN1KMT2AGAAALOX5
SCHEMBL9779963 0.77 ALOX5 (0.50) MMP2ALOX5POLB
SCHEMBL9780008 0.75 ALOX5 (0.55) MEN1KMT2AGAAALOX5
SCHEMBL9779986 0.75 G6PD (0.47) PTGS2GAAALOX5
SCHEMBL9779987 0.74 MEN1 (0.37) TSHRDRD2MEN1KMT2AGAA
SCHEMBL9779977 0.74 FAAH (0.42) ALOX5

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-4985427-A LIPOXYGENASE INHIBITORS GLAXO GROUP LIMITED (GB) 1991-01-15 US disclosed