SCHEMBL27466980

SCHEMBL27466980

O=C(COCc1ccccc1)NC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
NAMPT P43490 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
CES1 P23141 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL12376667 0.83 MAPT (0.55) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL31723025 0.79 CES1 (0.60) TSHRCES1ALDH1A1GRM5
SCHEMBL31688404 0.79 HDAC8 (0.57) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL1171808 0.77 RAB9A (0.51) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL8003959 0.77 CSNK1D (0.50) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL14336396 0.77 CSNK1D (0.54) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL26333756 0.77 CSNK1D (0.50) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL8003960 0.77 CSNK1D (0.50) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL1532664 0.77 RAB9A (0.51) CSNK1DADORA3ADORA2AADORA1PTPRC
SCHEMBL20859007 0.77 CTSS (0.54) CSNK1DADORA3ADORA2AADORA1PTPRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
CN-1190962-A Process for the preparation of substituted 5-hydroxy-oxazolidin-4-one ZENECA LTD (GB) 1998-08-19 CN disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 CN disclosed