SCHEMBL6854350

SCHEMBL6854350

[CH2]/C=C(\F)c1ccc(-c2cccnc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
CYP2A6 P11509 14/20 0.57
CYP2C19 P33261 8/20 0.57
CYP2C9 P11712 8/20 0.57
CYP3A4 P08684 8/20 0.57
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
CYP2E1 P05181 7/20 0.49
CYP2B6 P20813 6/20 0.49
CYP2D6 P10635 6/20 0.49

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
SCHEMBL6854353 1.00 MKNK1 (0.59) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6850747 0.84 MKNK1 (0.40) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6850744 0.84 MKNK1 (0.40) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6854336 0.83 HDAC6 (0.53) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6854339 0.83 HDAC6 (0.53) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6874595 0.82 MKNK1 (0.56) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6874589 0.82 MKNK1 (0.56) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6874586 0.82 MKNK1 (0.56) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6852347 0.79 KDM4E (0.36) MKNK1MKNK2CYP2A6CYP2C19CYP2C9
SCHEMBL6852337 0.79 KDM4E (0.36) MKNK1MKNK2CYP2A6CYP2C19CYP2C9

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