SCHEMBL6852061

SCHEMBL6852061

[CH2]/C(F)=C/c1cc(-c2cnccn2)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CYP11B2 P19099 1/20 0.32
MEN1 O00255 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
CDC25C P30307 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PIM1 P11309 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL6852064 1.00 PIM2 (0.35) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6852807 0.84 PIM2 (0.33) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6852806 0.84 PIM2 (0.33) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6852801 0.84 PIM2 (0.33) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6852722 0.79 RAB9A (0.39) MEN1KMT2ACYP19A1GRM1MAPT
SCHEMBL6852439 0.78 PIM2 (0.37) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6850861 0.78 PIM2 (0.38) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6851871 0.77 HDAC1 (0.33) PIM2HDAC1HDAC8HDAC6GRM1
SCHEMBL6851883 0.77 HDAC1 (0.33) PIM2HDAC1HDAC8HDAC6GRM1
SCHEMBL6852565 0.76 DYRK1A (0.57) CYP2D6CYP2C9CYP2C19MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed