SCHEMBL2606337

SCHEMBL2606337

Bc1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CDK5 Q00535 4/20 0.38
ATG4B Q9Y4P1 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
CDK5R1 Q15078 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
SCHEMBL2606372 0.94 SMN1; SMN2 (0.39) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL2606356 0.93 S1PR3 (0.40) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL2606472 0.93 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL2606370 0.91 SMN1; SMN2 (0.41) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL10272973 0.89 SMN1; SMN2 (0.36) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL13639766 0.88 CCNE1 (0.43) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL2606368 0.86 ALDH1A1 (0.39) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL999739 0.84 FFAR2 (0.46) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL2606403 0.84 SMN1; SMN2 (0.32) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL999793 0.83 SMN1; SMN2 (0.43) SMN1; SMN2NPC1GAARAB9A

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
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed