SCHEMBL6854044

SCHEMBL6854044

[CH2]C#Cc1nc2ccccc2n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
ATM Q13315 1/20 0.49
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 7/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 6/20 0.42
PKM P14618 3/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
CASP6 P55212 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL20777186 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL31337216 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL6852080 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL6847971 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL5811772 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL23704415 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL20448743 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL1997873 0.78 PSMB8 (0.56) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL484207 0.76 NPC1 (0.55) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL1052254 0.71 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4EALDH1A1RAB9A

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