SCHEMBL8599998

SCHEMBL8599998

COC(=O)COc1cc(N=C=S)c(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PPOX P50336 1/20 0.38
MAPT P10636 2/20 0.37
HMGCR P04035 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTGS2 P35354 1/20 0.36
ACLY P53396 1/20 0.35

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
SCHEMBL9530045 0.89 LMNA (0.57) LMNAALDH1A1KDM4EHPGDMAPK1
SCHEMBL8600440 0.88 PPOX (0.50) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL10550045 0.87 LMNA (0.38) LMNAALDH1A1KDM4EHPGDMAPK1
SCHEMBL8602405 0.87 LMNA (0.40) LMNAALDH1A1KDM4EHPGDMAPK1
SCHEMBL8600473 0.87 TDP1 (0.41) LMNAALDH1A1KDM4EHPGDMAPK1
SCHEMBL8599287 0.86 L3MBTL1 (0.48) LMNAALDH1A1KDM4EHPGDMAPK1
SCHEMBL8603600 0.86 TDP1 (0.46) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL8599268 0.85 ALDH1A1 (0.56) LMNAALDH1A1KDM4EHPGDMAPK1
SCHEMBL8602477 0.84 MAPT (0.42) LMNAALDH1A1KDM4EHPGDMAPK1
SCHEMBL8601482 0.83 PPOX (0.41) LMNAALDH1A1HPGDTSHRGAA

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-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed