SCHEMBL6206499

SCHEMBL6206499

O=S(=O)(c1cc(O)c(O)cc1F)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
ACHE P22303 1/20 0.51
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.46
ENPP2 Q13822 4/20 0.46
LPAR1 Q92633 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.46
KDM1A O60341 1/20 0.45

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
SCHEMBL4464439 0.83 TSHR (0.50) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL27847422 0.81 TSHR (0.50) CNR1ACHETSHRLMNASMN1; SMN2
SCHEMBL6025006 0.80 ALDH1A1 (0.63) CNR1TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL3408351 0.79 PKM (0.54) CNR1TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL3345913 0.79 PKM (0.61) CNR1TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL11177460 0.79 PKM (0.58) CNR1TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL1150747 0.78 CNR1 (0.53) CNR1ACHETSHRLMNASMN1; SMN2
SCHEMBL4578854 0.77 CNR1 (0.66) CNR1TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL13286855 0.75 SMN1; SMN2 (0.57) TSHRLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL16345591 0.75 LMNA (0.54) CNR1TSHRLMNASMN1; SMN2ALDH1A1

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
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO disclosed