SCHEMBL2606366

SCHEMBL2606366

CC1CCC(N(C(=O)Nc2ncc(S)s2)C2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

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

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
SCHEMBL999039 0.87 FFAR2 (0.42) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL999037 0.87 FFAR2 (0.42) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL998766 0.86 FPR3 (0.42) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL998764 0.86 FPR3 (0.42) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL2606472 0.86 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL12337842 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL999088 0.85 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL999091 0.85 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL999486 0.85 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL999485 0.85 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9AALDH1A1

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-1723128-B1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-11-07 EP disclosed
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed