SCHEMBL2667541

SCHEMBL2667541

CC(C)Oc1cc(C(=O)Nc2nccs2)cc(OCC(=N)N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
BRD4 O60885 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 7/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 6/20 0.44
ADORA2A P29274 3/20 0.43
HPGD P15428 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL9070865 0.85 SMN1; SMN2 (0.50) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL9070810 0.85 GCK (0.48) GCKSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2667602 0.84 SMN1; SMN2 (0.59) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2667721 0.83 GCK (0.56) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL9070809 0.82 MAPK1 (0.45) SMN1; SMN2MAPTRAB9AMAPK1NPC1
SCHEMBL2667594 0.82 GCK (0.49) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2667598 0.82 NPC1 (0.53) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL9070879 0.81 GCK (0.62) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2667507 0.81 GCK (0.62) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2667508 0.81 GCK (0.62) GCKSMN1; SMN2BRD4MAPTRAB9A

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
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed