SCHEMBL6852546

SCHEMBL6852546

[CH2]Cc1ccc(-c2cccnn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 14/20 0.42
HDAC4 P56524 2/20 0.40
DHODH Q02127 1/20 0.40
EP300 Q09472 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL6854741 0.85 EP300 (0.40) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL6850679 0.82 HDAC4 (0.43) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL3118227 0.81 HDAC4 (0.40) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL6215593 0.81 MKNK1 (0.50) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL13637169 0.81 RAB9A (0.44) WNT3AHDAC4DHODHPRMT5WDR77
SCHEMBL3118237 0.81 CYP2A6 (0.50) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL6852849 0.78 HDAC4 (0.41) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL13625507 0.77 XDH (0.42) WNT3AHDAC4DHODHEP300
SCHEMBL13458062 0.75 GABRA1 (0.52) HDAC4DHODHPRMT5WDR77
SCHEMBL6880455 0.75 EP300 (0.44) WNT3AHDAC4DHODHEP300

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