SCHEMBL6847906

SCHEMBL6847906

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

nearest known ligand 0.39

Predicted protein targets (top 7)

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
PARP1 P09874 1/20 0.31
SLC6A7 Q99884 1/20 0.30

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
SCHEMBL6847910 1.00 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6881809 0.81 HDAC4 (0.37) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6881805 0.81 HDAC4 (0.37) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6881811 0.81 HDAC4 (0.37) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6847861 0.79 TRPV1 (0.45) DHODHSLC6A7
SCHEMBL6847868 0.79 TRPV1 (0.45) DHODHSLC6A7
SCHEMBL19048355 0.78 HDAC4 (0.47) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL27613082 0.75 HDAC4 (0.41) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6848074 0.74 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6848069 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