SCHEMBL6851753

SCHEMBL6851753

O=CC#Cc1ccnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
ERN1 O75460 2/20 0.41
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAPT P10636 5/20 0.39
CYP1A2 P05177 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
PTK2B Q14289 2/20 0.39

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
SCHEMBL6854179 0.88 ERN1 (0.46) ERN1MAPTKDM4EALDH1A1MEN1
SCHEMBL15947627 0.85 NCF1 (0.54) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL7207702 0.78 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL6853883 0.78 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL1160101 0.77 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL29619912 0.77 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL828123 0.77 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL15940574 0.76 ADORA2A (0.54) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL17370956 0.74 NCF1 (0.43) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL15940617 0.74 NCF1 (0.43) NCF1LOXL2HTR1AADRA1DADRA1A

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