SCHEMBL6793174

SCHEMBL6793174

CC(O)C(=O)Nc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
PKM P14618 2/20 0.61
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
FFAR2 O15552 1/20 0.58
GAA P10253 1/20 0.58
S1PR1 P21453 1/20 0.56
S1PR3 Q99500 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PIM1 P11309 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
FLT3 P36888 1/20 0.53
PIM3 Q86V86 1/20 0.53

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
SCHEMBL6795826 1.00 POLB (0.69) POLBNPC1RAB9APKMALDH1A1
SCHEMBL6799235 1.00 POLB (0.69) POLBNPC1RAB9APKMALDH1A1
SCHEMBL7877016 0.88 POLB (0.63) POLBNPC1RAB9APKMALDH1A1
SCHEMBL2666190 0.87 ALDH1A1 (0.71) POLBNPC1RAB9APKMALDH1A1
SCHEMBL7876929 0.85 POLB (0.63) POLBNPC1RAB9APKMALDH1A1
SCHEMBL28208633 0.83 POLB (0.65) POLBNPC1RAB9APKMALDH1A1
SCHEMBL13255724 0.83 POLB (0.65) POLBNPC1RAB9APKMALDH1A1
SCHEMBL30887863 0.83 POLB (0.65) POLBNPC1RAB9APKMALDH1A1
SCHEMBL24932269 0.81 POLB (1.00) POLBNPC1RAB9APKMALDH1A1
SCHEMBL21210729 0.81 POLB (0.63) POLBNPC1RAB9APKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US claimed
EP-1367053-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2003-12-03 EP claimed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN disclosed
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US disclosed
EP-1367053-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2003-12-03 EP disclosed