SCHEMBL6847746

SCHEMBL6847746

[CH2]C=Cc1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
NFKB1 P19838 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
MMP8 P22894 1/20 0.50
CCR1 P32246 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6850791 1.00 KDM4E (0.50) KDM4EMAPTLMNATDP1MMP2
SCHEMBL9000718 0.81 KDM4E (0.50) KDM4EMAPTLMNATDP1MMP2
SCHEMBL15870950 0.81 LMNA (0.50) KDM4EMAPTLMNATDP1MMP2
SCHEMBL5242519 0.81 MMP2 (0.52) KDM4EMAPTLMNATDP1MMP2
SCHEMBL9000723 0.81 KDM4E (0.50) KDM4EMAPTLMNATDP1MMP2
SCHEMBL2129888 0.80 KDM4E (0.54) KDM4EMAPTLMNATDP1MMP2
SCHEMBL6851776 0.78 BACE1 (0.49) KDM4EMAPTLMNATDP1MMP2
SCHEMBL30630250 0.78 BACE1 (0.49) KDM4EMAPTLMNATDP1MMP2
SCHEMBL6851779 0.78 BACE1 (0.49) KDM4EMAPTLMNATDP1MMP2
SCHEMBL3243930 0.77 KDM4E (0.50) KDM4EMAPTLMNATDP1MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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