SCHEMBL9366241

SCHEMBL9366241

CCCCCCCC1COC(c2ccc(-c3ccc(F)cc3)nc2)OC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
STAT3 P40763 1/20 0.38
ATM Q13315 1/20 0.38
GRIA2 P42262 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM1A O60341 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 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
SCHEMBL9366234 1.00 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9366265 0.99 GRIA2 (0.37) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9366256 0.99 GRIA2 (0.37) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9366591 0.95 GRIA2 (0.38) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9366580 0.95 GRIA2 (0.38) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9366634 0.91 GRIA2 (0.39) RAB9ANPC1SMN1; SMN2GRIA2L3MBTL1
SCHEMBL9366626 0.91 GRIA2 (0.39) RAB9ANPC1SMN1; SMN2GRIA2L3MBTL1
SCHEMBL9365298 0.89 KDM1A (0.44) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9365304 0.89 KDM1A (0.44) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9366542 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