SCHEMBL6847904

SCHEMBL6847904

OC/C=C/c1cc(-c2cnccn2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.37
HDAC1 Q13547 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
CYP11B2 P19099 1/20 0.32
PIM1 P11309 1/20 0.32
MET P08581 1/20 0.31
PORCN Q9H237 2/20 0.31
WNT3A P56704 3/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL6847909 1.00 PIM2 (0.37) PIM2HDAC1CYP2D6CYP19A1CYP2C9
SCHEMBL6851955 0.81 KDM4E (0.38) CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD
SCHEMBL6851959 0.81 KDM4E (0.38) CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD
SCHEMBL6852439 0.80 PIM2 (0.37) PIM2HDAC1CYP2D6CYP19A1CYP2C9
SCHEMBL6847949 0.78 PIM2 (0.38) PIM2HDAC1CYP2D6CYP19A1CYP2C9
SCHEMBL6847943 0.78 PIM2 (0.38) PIM2HDAC1CYP2D6CYP19A1CYP2C9
SCHEMBL6852801 0.77 PIM2 (0.33) PIM2HDAC1CYP2D6CYP19A1CYP2C9
SCHEMBL6852806 0.77 PIM2 (0.33) PIM2HDAC1CYP2D6CYP19A1CYP2C9
SCHEMBL6852807 0.77 PIM2 (0.33) PIM2HDAC1CYP2D6CYP19A1CYP2C9
SCHEMBL6850861 0.76 PIM2 (0.38) PIM2HDAC1CYP2D6CYP19A1CYP2C9

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
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