SCHEMBL19789893

SCHEMBL19789893

CCCC[C@@H](CO)CNc1ccc(F)cc1C(=O)c1cccc(N=O)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 1/20 0.38
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
CHRNA7 P36544 2/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CNR2 P34972 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 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
SCHEMBL19789792 0.84 MEN1 (0.41) IGFBP3LMNAMAPT
SCHEMBL13620099 0.70 CES2 (0.47) MAPT
SCHEMBL13620292 0.69 DDR1 (0.31)
SCHEMBL12221802 0.69 DDR1 (0.31)
SCHEMBL19789740 0.68 MAPK14 (0.36) LMNACNR2
SCHEMBL13620463 0.66 MEN1 (0.39) LMNAMAPTTSHR
SCHEMBL19789724 0.66 MEN1 (0.39) LMNAMAPTTSHR
SCHEMBL24556720 0.62 MAPT (0.64) LMNAMAPTTSHR
SCHEMBL15636197 0.60 KDM6B (0.54) CNR2
SCHEMBL27352538 0.60 PLK1 (0.52) LMNATSHR

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
EP-2282991-B1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-24 EP disclosed