SCHEMBL2606472

SCHEMBL2606472

Bc1cnc(NC(=O)N(C2CCCCC2)C2CCC(C)CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CDK5 Q00535 2/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL2606370 0.99 SMN1; SMN2 (0.41) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2606368 0.95 ALDH1A1 (0.39) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2606337 0.93 SMN1; SMN2 (0.43) SMN1; SMN2NPC1GAARAB9AMAPT
SCHEMBL2606364 0.88 ALDH1A1 (0.35) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL999037 0.87 FFAR2 (0.42) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL999039 0.87 FFAR2 (0.42) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2606372 0.87 SMN1; SMN2 (0.39) SMN1; SMN2NPC1GAARAB9AMAPT
SCHEMBL2606366 0.86 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL998766 0.86 FPR3 (0.42) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL998764 0.86 FPR3 (0.42) SMN1; SMN2NPC1GAARAB9ACCNE1

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