SCHEMBL4958138

SCHEMBL4958138

CO/C(N(C)C)=[N+](/C)On1nnc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
DGAT1 O75907 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL6668083 0.95 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4958650 0.81 FAAH (0.34) SMN1; SMN2NPSR1RXFP1MAPK1KMT2A
SCHEMBL118552 0.79 SIRT2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29544944 0.79 SIRT2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4958146 0.78 SMN1; SMN2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
Fluoride Ion SCHEMBL4594160 0.78 SIRT2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
Bromide SCHEMBL5514450 0.78 SIRT2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15769691 0.78 SIRT2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2298406 0.78 DGAT1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2298398 0.78 DGAT1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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