SCHEMBL6851864

SCHEMBL6851864

OCC=Cc1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.45
HTT P42858 4/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
ERN1 O75460 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP11B2 P19099 2/20 0.40

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
SCHEMBL6851852 1.00 MAPT (0.48) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6851986 0.88 MAPT (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3396868 0.88 MAPT (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8648098 0.80 SMPD2 (0.41) ALDH1A1CYP3A4
SCHEMBL8648099 0.80 SMPD2 (0.41) ALDH1A1CYP3A4
SCHEMBL3209225 0.78 BACE1 (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3209256 0.78 BACE1 (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL11652810 0.77 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6850607 0.77 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9000381 0.76 KDM4E (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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