SCHEMBL9726358

SCHEMBL9726358

COC(=O)c1c(C)nc(C(F)(F)F)c(C(=O)OC)c1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GCGR P47871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 2/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 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
SCHEMBL8692924 0.93 GCGR (0.35) KDM4EGCGRALDH1A1HPGDGAA
SCHEMBL8360689 0.89 GCGR (0.36) GCGRALDH1A1HPGDPKMNPC1
SCHEMBL8693608 0.85 GCGR (0.34) GCGR
SCHEMBL9726307 0.85 ALDH1A1 (0.33) KDM4EGCGRALDH1A1HPGDLMNA
SCHEMBL8359305 0.84 KDM4E (0.38) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9726386 0.82 LMNA (0.32) KMT2AMEN1GCGRALDH1A1HPGD
SCHEMBL28769051 0.82 GCGR (0.32) KMT2AMEN1GCGRPKMNPC1
SCHEMBL9726294 0.81 KDM4E (0.36) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6732478 0.81 KDM4E (0.44) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8310160 0.81 GCGR (0.32) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
US-4978384-A HERBICIDES MONSANTO COMPANY (US) 1990-12-18 US disclosed
US-4826530-A PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed