SCHEMBL6852115

SCHEMBL6852115

OC/C=C/c1csc(-c2cnccn2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 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
SCHEMBL6852127 1.00 PIM2 (0.34) PIM2HDAC1HDAC8HDAC6TSHR
SCHEMBL6853984 0.81 KDM4E (0.43) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL6853980 0.81 KDM4E (0.43) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL6848061 0.81 PIM2 (0.33) PIM2HDAC1HDAC8HDAC6
SCHEMBL6852683 0.78 PIM2 (0.35) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6852697 0.78 PIM2 (0.35) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6853894 0.78 HDAC1 (0.32) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6853906 0.78 HDAC1 (0.32) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6853898 0.78 HDAC1 (0.32) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6847824 0.77 MAPT (0.38) PIM2HDAC1HDAC8HDAC6TSHR

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