SCHEMBL6852080

SCHEMBL6852080

Cn1c(C#CC=O)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ATM Q13315 1/20 0.45
KDM4E B2RXH2 8/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 4/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 5/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL6854044 0.78 SMN1; SMN2 (0.52) SMN1; SMN2ATMKDM4EMAPTHPGD
SCHEMBL20448743 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ATMKDM4EMAPTHPGD
SCHEMBL31337216 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ATMKDM4EMAPTHPGD
SCHEMBL20777186 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ATMKDM4EMAPTHPGD
SCHEMBL6847971 0.74 SMN1; SMN2 (0.47) SMN1; SMN2ATMKDM4EMAPTPOLB
SCHEMBL5811772 0.74 SMN1; SMN2 (0.47) SMN1; SMN2ATMKDM4EMAPTGAA
SCHEMBL23704415 0.74 SMN1; SMN2 (0.55) SMN1; SMN2ATMKDM4EMAPTHPGD
SCHEMBL1997873 0.74 PSMB8 (0.56) SMN1; SMN2ATMKDM4EMAPTHPGD
Dimethylformamide SCHEMBL28052355 0.74 PSMB8 (0.46) SMN1; SMN2ATMKDM4EMAPTHPGD
SCHEMBL484207 0.72 NPC1 (0.55) SMN1; SMN2ATMKDM4EMAPTHPGD

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