SCHEMBL6851871

SCHEMBL6851871

[CH2]/C(F)=C/c1csc(-c2cnccn2)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PIM2 Q9P1W9 1/20 0.32
ALOX5 P09917 1/20 0.30
GRM1 Q13255 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
SCHEMBL6851883 1.00 HDAC1 (0.33) HDAC1HDAC8HDAC6PIM2ALOX5
SCHEMBL6853898 0.83 HDAC1 (0.32) HDAC1HDAC8HDAC6PIM2GRM1
SCHEMBL6853894 0.83 HDAC1 (0.32) HDAC1HDAC8HDAC6PIM2GRM1
SCHEMBL6853906 0.83 HDAC1 (0.32) HDAC1HDAC8HDAC6PIM2GRM1
SCHEMBL6851817 0.80 KDM4E (0.42) HDAC1HDAC8HDAC6GRM1
SCHEMBL6851822 0.80 KDM4E (0.42) HDAC1HDAC8HDAC6GRM1
SCHEMBL6848061 0.78 PIM2 (0.33) HDAC1HDAC8HDAC6PIM2
SCHEMBL6847824 0.77 MAPT (0.38) HDAC1HDAC8HDAC6PIM2ALOX5
SCHEMBL6852034 0.77 DYRK1A (0.54)
SCHEMBL6852038 0.77 DYRK1A (0.54)

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