SCHEMBL6852807

SCHEMBL6852807

OCC(F)=Cc1cc(-c2cnccn2)cs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
WNT3A P56704 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
GRM1 Q13255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6852801 1.00 PIM2 (0.33) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6852806 1.00 PIM2 (0.33) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6852064 0.84 PIM2 (0.35) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6852061 0.84 PIM2 (0.35) PIM2HDAC1HDAC8HDAC6PIK3CD
SCHEMBL6853977 0.81 RAB9A (0.36) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL6853988 0.81 RAB9A (0.36) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL6853982 0.81 RAB9A (0.36) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL6850524 0.78 QDPR (0.37) CYP19A1KDM4ECYP11B2
SCHEMBL6850522 0.78 QDPR (0.37) CYP19A1KDM4ECYP11B2
SCHEMBL6850514 0.78 QDPR (0.37) CYP19A1KDM4ECYP11B2

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