SCHEMBL6851898

SCHEMBL6851898

O=CC#Cc1ccc(-c2nnco2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.60
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TLR8 Q9NR97 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL6852327 0.78 NOTUM (0.66) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL17694561 0.76 NOTUM (0.78) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL12254344 0.75 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6850726 0.75 LTA4H (0.45) NOTUM
SCHEMBL6847815 0.74 NOTUM (0.60) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL2610163 0.74 NOTUM (0.75) NOTUMKDM4EALDH1A1LMNATLR8
Methane SCHEMBL28273359 0.74 NOTUM (0.96) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6851980 0.74 NOTUM (0.58) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6852556 0.71 NOTUM (0.55) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6852645 0.71 KEAP1 (0.63) NOTUMKDM4EALDH1A1LMNANPC1

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