SCHEMBL9545547

SCHEMBL9545547

CS(=O)(=O)Oc1cccc(SCCC(F)=C(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
RXFP1 Q9HBX9 3/20 0.32
PRNP P04156 3/20 0.32
MAPK10 P53779 1/20 0.32
HPGD P15428 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
MAPT P10636 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
SCHEMBL10745161 0.81 DRD2 (0.35) ALDH1A1NPSR1HTR1ADRD2HTR2A
SCHEMBL9545545 0.80 POLB (0.38) POLBLMNAALDH1A1KDM4ENPSR1
SCHEMBL9545376 0.75 MAPT (0.30) LMNAMAPT
SCHEMBL6802436 0.74 POLB (0.36) POLBLMNAALDH1A1KDM4E
SCHEMBL9545437 0.74 NPC1 (0.34) ALDH1A1KDM4ENPSR1HTR1ADRD2
SCHEMBL9868149 0.73 PTGS2 (0.42) POLBLMNANPSR1HPGDMAPT
SCHEMBL9545447 0.72
SCHEMBL9865854 0.70 HCAR1 (0.39) LMNA
SCHEMBL9867638 0.69 FFAR4 (0.34)
SCHEMBL9393411 0.68 POLB (0.34) POLBLMNAALDH1A1KDM4E

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-1993021150-A2 ARTHROPODICIDAL ARYL SULFONATES DUNLENA PTY. LTD. (AU) 1993-10-28 WO disclosed