SCHEMBL6015946

SCHEMBL6015946

Cc1[c]cn(CC(=O)NCCCn2ccnc2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NAMPT P43490 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 2/20 0.48
CYP19A1 P11511 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL13472650 0.75 KDM4E (0.67) GAASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL7900662 0.73 L3MBTL1 (0.64) MAPTGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL6398857 0.73 L3MBTL1 (0.68) MAPTGAASMN1; SMN2NAMPTNPC1
SCHEMBL13350354 0.72 L3MBTL1 (0.62) GAASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL10663533 0.72 L3MBTL1 (0.62) GAASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL10013653 0.72 ALDH1A1 (0.63) GAASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL49130 0.72 L3MBTL1 (0.66) SMN1; SMN2NAMPTNPC1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL5656951 0.72 L3MBTL1 (0.66) SMN1; SMN2NAMPTNPC1ALDH1A1L3MBTL1
SCHEMBL10854541 0.71 QPCT (0.65) LMNAGAASMN1; SMN2NAMPTNPC1
SCHEMBL9659480 0.71 GAA (0.68) MAPTGAASMN1; SMN2NPC1ALDH1A1

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-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed