SCHEMBL6850607

SCHEMBL6850607

[CH2]/C=C/c1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
CYP3A4 P08684 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL3394573 0.87 MAPT (0.62) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL4818560 0.87 MAPT (0.62) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL11652810 0.81 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1239664 0.81 MAPT (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9000381 0.80 KDM4E (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9000375 0.80 KDM4E (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6851864 0.77 MAPT (0.48) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6851852 0.77 MAPT (0.48) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL31686425 0.77 MAPT (0.56) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL14127415 0.77 MAPT (0.58) MAPTKDM4EMEN1KMT2AALDH1A1

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