SCHEMBL6850673

SCHEMBL6850673

[CH2]C#Cc1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ACACB O00763 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ERN1 O75460 1/20 0.38
NCF1 P14598 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL6853883 0.87 NCF1 (0.47) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL6854179 0.79 ERN1 (0.46) MAPTKDM4EACACBHRH3POLB
SCHEMBL6850596 0.77 ACACB (0.45) MAPTKDM4EACACBHRH3POLB
SCHEMBL738596 0.77 MAPT (0.52) MAPTKDM4EACACBHRH3POLB
SCHEMBL566054 0.77 MAPT (0.52) MAPTKDM4EPOLBCYP3A4MEN1
SCHEMBL2009861 0.77 MAPT (0.52) MAPTKDM4EACACBHRH3POLB
SCHEMBL20593896 0.76 KDM4E (0.42) MAPTKDM4EACACBHRH3POLB
SCHEMBL30220311 0.75 ACACB (0.46) MAPTKDM4EACACBHRH3POLB
SCHEMBL15947627 0.74 NCF1 (0.54) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL6852617 0.72 KDM4E (0.50) MAPTKDM4EHRH3CYP3A4LMNA

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