SCHEMBL8600440

SCHEMBL8600440

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.50
GAA P10253 3/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NTSR1 P30989 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8599287 0.91 L3MBTL1 (0.48) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8599268 0.90 ALDH1A1 (0.56) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8599998 0.88 LMNA (0.56) PPOXGAAL3MBTL1TDP1TSHR
SCHEMBL8600272 0.88 ALDH1A1 (0.54) PPOXGAAPKML3MBTL1TDP1
SCHEMBL10550045 0.85 LMNA (0.38) PPOXL3MBTL1TDP1TSHRALDH1A1
SCHEMBL8600473 0.85 TDP1 (0.41) PPOXL3MBTL1TDP1TSHRALDH1A1
SCHEMBL8602405 0.85 LMNA (0.40) PPOXL3MBTL1TDP1TSHRALDH1A1
SCHEMBL8602477 0.84 MAPT (0.42) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8601482 0.84 PPOX (0.41) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8603600 0.84 TDP1 (0.46) PKMTDP1TSHRALDH1A1MAPT

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