SCHEMBL6852161

SCHEMBL6852161

O=CC#Cc1cccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
CCR1 P32246 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
MMP13 P45452 1/20 0.47
CCR5 P51681 1/20 0.47

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
SCHEMBL11966088 0.78 KDM4E (0.50) KDM4EMMP2TSHRMAPTALOX15
SCHEMBL6852617 0.78 KDM4E (0.50) KDM4EMMP2TSHRMAPTALOX15
SCHEMBL194280 0.77 KDM4E (0.54) KDM4EMMP2TSHRMAPTALOX15
Formic Acid SCHEMBL29627991 0.76 SLC40A1 (0.51) KDM4EMMP2TSHRMAPTALOX15
SCHEMBL24693564 0.74 KDM4E (0.45) KDM4EMMP2TSHRMAPTALOX15
SCHEMBL14305140 0.74 KDM4E (0.45) KDM4EMMP2TSHRMAPTALOX15
SCHEMBL6854179 0.74 ERN1 (0.46) KDM4EMAPTHTTLMNAHSP90AA1
SCHEMBL737516 0.73 KDM4E (0.54) KDM4EMMP2TSHRMAPTALOX15
SCHEMBL29398699 0.73 SLC40A1 (0.55) KDM4EMMP2TSHRMAPTALOX15
SCHEMBL4175358 0.73 KDM4E (0.54) KDM4EMMP2TSHRMAPTALOX15

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