SCHEMBL13183291

SCHEMBL13183291

C/C(C#N)=C1/CCOc2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FABP6 P51161 1/20 0.41
GAA P10253 2/20 0.38
NPY5R Q15761 1/20 0.35
PIK3CA P42336 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NOTUM Q6P988 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10044923 0.83 KDM4E (0.48) KDM4EALDH1A1L3MBTL1FABP6GAA
SCHEMBL13160450 0.78 DHODH (0.42) KDM4EALDH1A1L3MBTL1FABP6GAA
SCHEMBL31595636 0.71 FABP6 (0.43) KDM4EALDH1A1L3MBTL1FABP6NPY5R
SCHEMBL769330 0.68 FABP6 (0.58) KDM4EALDH1A1L3MBTL1FABP6NPC1
SCHEMBL8025112 0.68 FABP6 (0.50) KDM4EALDH1A1L3MBTL1FABP6GAA
SCHEMBL10508276 0.68 FABP6 (0.50) KDM4EALDH1A1L3MBTL1FABP6GAA
SCHEMBL10434491 0.68 KDM4E (0.51) KDM4EALDH1A1L3MBTL1FABP6GAA
SCHEMBL6560819 0.68 KDM4E (0.62) KDM4EALDH1A1L3MBTL1FABP6GAA
SCHEMBL6560814 0.68 KDM4E (0.62) KDM4EALDH1A1L3MBTL1FABP6GAA
SCHEMBL25937556 0.68 KDM4E (0.62) KDM4EALDH1A1L3MBTL1FABP6GAA

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
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed