SCHEMBL4550324

SCHEMBL4550324

FC(F)(F)COc1ccc2c(n1)ONC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL4550325 0.74
SCHEMBL21041002 0.69 HTR2C (0.43) L3MBTL1DRD2DRD3
SCHEMBL17159713 0.62 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL18611234 0.62 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2LMNA
SCHEMBL23639333 0.62 L3MBTL1 (0.41) L3MBTL1KDM4ESMN1; SMN2KCNH2
SCHEMBL22595338 0.62 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2LMNAKCNH2
SCHEMBL6607250 0.62 MEN1 (0.51) L3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL22595335 0.62 L3MBTL1 (0.41) L3MBTL1KDM4ESMN1; SMN2LMNATSHR
SCHEMBL23414825 0.62 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2
SCHEMBL3966140 0.61 NUDT1 (0.43) L3MBTL1KDM4ESMN1; SMN2LMNATSHR

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-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed