SCHEMBL6848069

SCHEMBL6848069

[CH2]/C(F)=C/c1ccc(-c2cccnn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.39
DHODH Q02127 1/20 0.39
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
WNT3A P56704 4/20 0.31

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
SCHEMBL6848074 1.00 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6877331 0.81 HDAC4 (0.37) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6877337 0.81 HDAC4 (0.37) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6877341 0.81 HDAC4 (0.37) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6847697 0.79 KDM4E (0.42) DHODH
SCHEMBL6847703 0.79 KDM4E (0.42) DHODH
SCHEMBL6277382 0.78 ALDH1A1 (0.42) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6226143 0.75 HDAC4 (0.41) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6847910 0.74 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6847906 0.74 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A

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