SCHEMBL6847971

SCHEMBL6847971

Cn1c(C#CCO)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
CYP2D6 P10635 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
MAPK14 Q16539 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL5811772 0.84 SMN1; SMN2 (0.47) SMN1; SMN2CYP2D6ATMKDM4ELMNA
SCHEMBL6854044 0.78 SMN1; SMN2 (0.52) SMN1; SMN2ATMKDM4ELMNANPC1
SCHEMBL23704415 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ATMKDM4ELMNANPC1
SCHEMBL31337216 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ATMKDM4ELMNANPC1
SCHEMBL20777186 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ATMKDM4ELMNAHDAC6
SCHEMBL6852080 0.74 SMN1; SMN2 (0.47) SMN1; SMN2ATMKDM4ELMNAHDAC6
SCHEMBL1997873 0.74 PSMB8 (0.56) SMN1; SMN2ATMKDM4ELMNANPC1
SCHEMBL20448743 0.74 SMN1; SMN2 (0.55) SMN1; SMN2ATMKDM4ELMNAHDAC6
SCHEMBL484207 0.72 NPC1 (0.55) SMN1; SMN2ATMKDM4ELMNANPC1
SCHEMBL104281 0.70 HDAC6 (0.61) SMN1; SMN2CYP2D6KDM4ELMNAHDAC6

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