SCHEMBL4958146

SCHEMBL4958146

COC(N(C)On1nnc2ccccc21)=[N+](C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
DGAT1 O75907 1/20 0.39
POLB P06746 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
SCHEMBL6668090 0.95 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL4958670 0.81 FAAH (0.34) MAPTHPGD
SCHEMBL29544944 0.79 SIRT2 (0.49) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL118552 0.79 SIRT2 (0.49) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL4958138 0.78 HDAC3 (0.44) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
Bromide SCHEMBL5514450 0.78 SIRT2 (0.48) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL5713210 0.78 DGAT1 (0.41) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL15769691 0.78 SIRT2 (0.48) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL30056078 0.78 SIRT2 (0.48) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
Fluoride Ion SCHEMBL4594160 0.78 SIRT2 (0.48) SMN1; SMN2NPC1RAB9AHDAC3HDAC4

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-7317000-B2 Glucose-dependent insulins NOVO NORDISK A/S (DK) 2008-01-08 US disclosed