SCHEMBL8599287

SCHEMBL8599287

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
PPOX P50336 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 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
SCHEMBL8599268 0.94 ALDH1A1 (0.56) L3MBTL1ALDH1A1TDP1PPOXTSHR
SCHEMBL8600272 0.92 ALDH1A1 (0.54) L3MBTL1ALDH1A1TDP1PPOXTSHR
SCHEMBL8600440 0.91 PPOX (0.50) L3MBTL1ALDH1A1TDP1PPOXTSHR
SCHEMBL8599998 0.86 LMNA (0.56) L3MBTL1ALDH1A1TDP1PPOXTSHR
SCHEMBL8599225 0.84 PPOX (0.40) L3MBTL1ALDH1A1PPOXMAPK1MAPT
SCHEMBL8599741 0.84 CUL4A (0.35) L3MBTL1ALDH1A1TDP1TSHRLMNA
SCHEMBL10550045 0.83 LMNA (0.38) L3MBTL1ALDH1A1TDP1PPOXTSHR
SCHEMBL8602405 0.83 LMNA (0.40) L3MBTL1ALDH1A1TDP1PPOXTSHR
SCHEMBL8600473 0.83 TDP1 (0.41) L3MBTL1ALDH1A1TDP1PPOXTSHR
SCHEMBL8602477 0.82 MAPT (0.42) L3MBTL1ALDH1A1TDP1PPOXTSHR

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