SCHEMBL6847815

SCHEMBL6847815

OCC#Cc1ccc(-c2nnco2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.60
TLR8 Q9NR97 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
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) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL17694561 0.76 NOTUM (0.78) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL12254344 0.75 NOTUM (1.00) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL6847950 0.75 LTA4H (0.45) ALDH1A1
SCHEMBL6851898 0.74 NOTUM (0.60) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL2610163 0.74 NOTUM (0.75) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL9672111 0.74 MMP2 (0.50) KDM4EALDH1A1LMNAL3MBTL1
Methane SCHEMBL28273359 0.74 NOTUM (0.96) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL6446069 0.72 MMP2 (0.55) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL860256 0.71 NOTUM (0.64) NOTUMTLR8KDM4EALDH1A1LMNA

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