SCHEMBL6852263

SCHEMBL6852263

[CH2]/C=C(/F)c1ccc(-c2ccncn2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
HSP90AA1 P07900 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL6852261 1.00 KDM4E (0.36) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6880751 0.82 KDM4E (0.34) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6880744 0.82 KDM4E (0.34) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6880749 0.82 KDM4E (0.34) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6852483 0.80 KDM4E (0.58) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6852476 0.80 KDM4E (0.58) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6854336 0.80 HDAC6 (0.53) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6854339 0.80 HDAC6 (0.53) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6852337 0.79 KDM4E (0.36) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL6852347 0.79 KDM4E (0.36) KDM4EHDAC3HDAC4HDAC1HDAC7

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