SCHEMBL6851728

SCHEMBL6851728

[CH2]/C=C(/F)c1cc(-c2ncccn2)cs1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
HDAC6 Q9UBN7 1/20 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
SCHEMBL6851724 1.00 CYP19A1 (0.31) CYP19A1HDAC6
SCHEMBL6854390 0.82 KDM4E (0.37) CYP19A1HDAC6
SCHEMBL6852778 0.81
SCHEMBL6852776 0.81
SCHEMBL6852774 0.81
SCHEMBL6852687 0.79 MMP12 (0.40) HDAC6
SCHEMBL6852681 0.79 MMP12 (0.40) HDAC6
SCHEMBL6852049 0.76 DYRK1A (0.54)
SCHEMBL6852045 0.76 DYRK1A (0.54)
SCHEMBL6847749 0.75 CYP3A4 (0.38)

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