SCHEMBL9545491

SCHEMBL9545491

CCCOc1c(N(C=O)c2ccc(F)cc2F)c(C(F)(F)F)nn1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 6/20 0.35
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9217007 0.93 LMNA (0.36) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9216348 0.90 LMNA (0.36) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9544901 0.87 LMNA (0.34) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9214398 0.84 NPSR1 (0.41) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9217214 0.80 NPSR1 (0.45) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9217311 0.80 LMNA (0.37) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9544909 0.80 NPSR1 (0.36) LMNANPSR1MAPTGAAKDM4E
SCHEMBL9209425 0.80 LMNA (0.48) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9216137 0.80 LMNA (0.32) LMNANPSR1
SCHEMBL9216963 0.80 NPSR1 (0.38) LMNANPSR1MAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO claimed