SCHEMBL11565633

SCHEMBL11565633

CC(=O)OC(C)C(=O)Nc1ccn(C)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 1/20 0.45
NOTUM Q6P988 1/20 0.43
CTSK P43235 1/20 0.43
MAPK1 P28482 1/20 0.42
RAF1 P04049 1/20 0.41
ELOVL1 Q9BW60 2/20 0.40
IDO1 P14902 1/20 0.40
HPGDS O60760 1/20 0.39
GCK P35557 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL1106972 0.81 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL16703930 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL2629347 0.76 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL16703928 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL18131819 0.74 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL16698703 0.73 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL16699478 0.73 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL19781551 0.73 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL18421576 0.72 NPC1 (0.65) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL2625578 0.72 NPC1 (0.57) SMN1; SMN2ALDH1A1LMNAKDM4EHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166123-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1979-08-28 US disclosed