SCHEMBL2667933

SCHEMBL2667933

COc1cc(C(=S)Nc2nccs2)cc(OC(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
BRD4 O60885 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 6/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 5/20 0.41
GCK P35557 1/20 0.39
HPGDS O60760 1/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL2667639 0.87 HTT (0.38) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2667602 0.87 SMN1; SMN2 (0.59) LMNAALDH1A1GAASMN1; SMN2BRD4
SCHEMBL2667500 0.81 L3MBTL1 (0.46) LMNAALDH1A1GAASMN1; SMN2BRD4
SCHEMBL2667935 0.81 RAB9A (0.43) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL9070806 0.81 RAB9A (0.43) LMNAALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL9070922 0.79 GCK (0.43) LMNAALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL9070824 0.78 SMN1; SMN2 (0.44) LMNAALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL13927363 0.77 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2BRD4MAPT
SCHEMBL9070981 0.77 KDM4E (0.35) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL9070999 0.76 RAB9A (0.63) LMNAALDH1A1GAASMN1; SMN2BRD4

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