SCHEMBL6668090

SCHEMBL6668090

COC(N(C)On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SIRT2 Q8IXJ6 4/20 0.38
MGAM O43451 1/20 0.36
F12 P00748 1/20 0.36

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
SCHEMBL4958146 0.95 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL29361802 0.81 SIRT2 (0.45) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL44480 0.81 SIRT2 (0.45) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL16765694 0.81 SIRT2 (0.45) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL6668083 0.81 HDAC3 (0.41) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL6647077 0.80 F12 (0.37) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL27529584 0.80 SIRT2 (0.44) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL1674867 0.79 NPSR1 (0.39) SMN1; SMN2NPC1RAB9AHDAC3HDAC4
SCHEMBL4958670 0.77 FAAH (0.34) MAPT
SCHEMBL3580017 0.77 NPSR1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453860-A2 NOVEL GLUCOSE-DEPENDANT INSULINS NOVO NORDISK A/S (DK) 2004-09-08 EP disclosed
WO-2003048195-A2 GLUCOSE DEPENDANT RELEASE OF INSULIN FROM GLUCOSE SENSING INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed