SCHEMBL6852248

SCHEMBL6852248

[CH2]C#Cc1ccc(-c2ncon2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.36
PPARA Q07869 1/20 0.33
FAAH O00519 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL6852094 0.78 KMO (0.33) KMOPPARAGPR119
SCHEMBL6852514 0.78 MMP2 (0.40) KMOPPARAGPR119
SCHEMBL21769565 0.78 NOTUM (0.46) KMO
SCHEMBL19356875 0.75 KMO (0.40) KMOPPARAFAAHKCNH2GPR119
SCHEMBL6854012 0.73 CLK4 (0.44)
SCHEMBL3398203 0.71 KMO (0.47) KMOFAAHKCNH2
SCHEMBL28481167 0.71 RAB9A (0.46) KMOPPARA
SCHEMBL16907809 0.71 NR1H4 (0.44) KMOPPARA
SCHEMBL1188116 0.71 MEN1 (0.50) KMOPPARA
SCHEMBL2740475 0.71 NPC1 (0.40) KMOPPARA

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