SCHEMBL9544901

SCHEMBL9544901

CC(C)COc1c(N(C=O)c2ccc(F)cc2F)c(C(F)(F)F)nn1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 5/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR2A P28223 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 2/20 0.30
DPP8 Q6V1X1 2/20 0.30
DPP7 Q9UHL4 2/20 0.30
DPP9 Q86TI2 1/20 0.30
HTT P42858 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9216137 0.92 LMNA (0.32) LMNANPSR1
SCHEMBL9217007 0.90 LMNA (0.36) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9216348 0.89 LMNA (0.36) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9545491 0.87 LMNA (0.35) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9214398 0.83 NPSR1 (0.41) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9544365 0.80 NPSR1 (0.36) LMNANPSR1MAPTGAAKDM4E
SCHEMBL9217214 0.80 NPSR1 (0.45) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9209425 0.79 LMNA (0.48) LMNANPSR1MAPTL3MBTL1GAA
SCHEMBL9544863 0.79 NPSR1 (0.35) LMNANPSR1MAPTGAAKDM4E
SCHEMBL9220382 0.79 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 2 patents. 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
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed