SCHEMBL9366256

SCHEMBL9366256

CCCCC[C@H]1CO[C@H](c2ccc(-c3ccc(F)cc3)nc2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM1A O60341 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
MAPK1 P28482 1/20 0.34
TLR8 Q9NR97 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL9366265 1.00 GRIA2 (0.37) GRIA2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9366241 0.99 RAB9A (0.38) GRIA2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9366234 0.99 RAB9A (0.38) GRIA2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9366591 0.96 GRIA2 (0.38) GRIA2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9366580 0.96 GRIA2 (0.38) GRIA2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9366634 0.92 GRIA2 (0.39) GRIA2RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9366626 0.92 GRIA2 (0.39) GRIA2RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9365143 0.88 KDM1A (0.45) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9365134 0.88 KDM1A (0.45) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9366251 0.88 GRM2 (0.39) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433835-B1 Dioxanylpyridines HOFFMANN LA ROCHE (CH) 1994-05-18 EP disclosed
US-5160661-A DIOXANYLPYRIDINE HOFFMANN-LA ROCHE INC. (US) 1992-11-03 US disclosed
EP-0433835-A2 Dioxanylpyridines F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP disclosed