SCHEMBL764988

SCHEMBL764988

CN1CC(c2ncc(CCc3ccc(F)cc3)s2)=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
OPRK1 P41145 1/20 0.35
CCR6 P51684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 3/20 0.34
KCNH2 Q12809 2/20 0.34
HSD17B13 Q7Z5P4 6/20 0.34
MAPK13 O15264 1/20 0.33
MAPK14 Q16539 1/20 0.33
ACHE P22303 1/20 0.32
PIM1 P11309 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTR2C P28335 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL753518 0.77 LIPG (0.43) GAAOPRK1CCR6SMN1; SMN2NPSR1
SCHEMBL754533 0.70 SMN1; SMN2 (0.34) GAAOPRK1CCR6SMN1; SMN2NPSR1
SCHEMBL753281 0.67 LIPG (0.44) GAAOPRK1CCR6SMN1; SMN2NPSR1
SCHEMBL4015123 0.65 EPHX2 (0.50) TDP1HTR2AKCNH2HTR2CALDH1A1
SCHEMBL14829395 0.61 PTPN11 (0.42) NPSR1HSD17B13MAPK14ALDH1A1MAPT
SCHEMBL751203 0.61 LIPG (0.50) GAAOPRK1CCR6SMN1; SMN2NPSR1
SCHEMBL26759020 0.60 PTPN11 (0.40) SMN1; SMN2NPSR1HSD17B13ALDH1A1MAPT
SCHEMBL754596 0.60 LIPG (0.42) SMN1; SMN2HTR2AKCNH2LIPGSIGMAR1
SCHEMBL15356497 0.58 PTPN11 (0.40) SMN1; SMN2NPSR1ALDH1A1MAPTQPCT
SCHEMBL18667384 0.58 LOXL2 (0.42) NPSR1ALDH1A1MAPTQPCTMAOA

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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed