SCHEMBL6852337

SCHEMBL6852337

[CH2]/C=C(\F)c1ccc(-c2cnccn2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 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
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TERT O14746 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6852347 1.00 KDM4E (0.36) KDM4EMKNK1MKNK2HDAC1HDAC6
SCHEMBL6881057 0.82 TERT (0.34) KDM4EMKNK1MKNK2HDAC1HDAC6
SCHEMBL6881067 0.82 TERT (0.34) KDM4EMKNK1MKNK2HDAC1HDAC6
SCHEMBL6881061 0.82 TERT (0.34) KDM4EMKNK1MKNK2HDAC1HDAC6
SCHEMBL6852476 0.80 KDM4E (0.58) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL6852483 0.80 KDM4E (0.58) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL6852263 0.79 KDM4E (0.36) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL6852261 0.79 KDM4E (0.36) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL6854353 0.79 MKNK1 (0.59) MKNK1MKNK2HDAC1HDAC6HDAC3
SCHEMBL6854350 0.79 MKNK1 (0.59) MKNK1MKNK2HDAC1HDAC6HDAC3

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