SCHEMBL6854741

SCHEMBL6854741

[CH2]CCc1ccc(-c2cccnn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.40
HDAC4 P56524 2/20 0.38
DHODH Q02127 1/20 0.38
WNT3A P56704 9/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HAT1 O14929 2/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.32

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
SCHEMBL6852546 0.85 WNT3A (0.42) EP300HDAC4DHODHWNT3APRMT5
SCHEMBL6880455 0.79 EP300 (0.44) EP300HDAC4DHODHWNT3AHAT1
SCHEMBL6878881 0.78 EP300 (0.41) EP300HDAC4DHODHWNT3APRMT5
SCHEMBL3118227 0.78 HDAC4 (0.40) EP300HDAC4DHODHWNT3APRMT5
SCHEMBL13637169 0.78 RAB9A (0.44) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL3118237 0.78 CYP2A6 (0.50) EP300HDAC4DHODHWNT3APRMT5
SCHEMBL6215593 0.78 MKNK1 (0.50) EP300HDAC4DHODHWNT3APRMT5
SCHEMBL6852824 0.76 CYP1A2 (0.47) FAAHCES1
SCHEMBL6876121 0.76 AOC3 (0.50) EP300HDAC4DHODHWNT3APRMT5
SCHEMBL6852849 0.75 HDAC4 (0.41) EP300HDAC4DHODHWNT3APRMT5

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