SCHEMBL2762166

SCHEMBL2762166

Cc1ccc(OC(F)CF)c(C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.40
MAPK8 P45983 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 1/20 0.35
CSF1R P07333 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 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
SCHEMBL7861843 0.84 MEN1 (0.47) IRAK4MEN1KMT2ALMNAMAPT
SCHEMBL12180295 0.80 IRAK4 (0.62) IRAK4IDO1TDO2ABCB1
SCHEMBL8376379 0.78 MEN1 (0.43) MAPK8MEN1KMT2ALMNAMAPT
SCHEMBL27540094 0.78 IRAK4 (0.47) IRAK4MAPK8IDO1TDO2MEN1
SCHEMBL2190365 0.76 ACHE (0.59) MAPK8MAPTMAPK1ALDH1A1CSF1R
SCHEMBL7860492 0.73 MAPK1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL10252150 0.72 MBOAT4 (0.45) MAPK8MAP2K2MAP2K1
SCHEMBL11523822 0.71 L3MBTL1 (0.44) MAPK8MEN1KMT2ALMNAMAPT
SCHEMBL12180298 0.71 MAPT (0.51) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL14273072 0.71 PTGDR2 (0.57) SMN1; SMN2

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
WO-2010133851-A1 PREPARATION OF LABELLED COMPOUNDS ISIS INNOVATION LIMITED (GB) 2010-11-25 WO disclosed