SCHEMBL9070824

SCHEMBL9070824

COc1cc(C(=S)Nc2nccs2)cc(OCCCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
ADRB2 P07550 1/20 0.43
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL9070870 0.88 RAB9A (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1ADRB2
SCHEMBL2667500 0.85 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1RAB9ANPC1ADRB2
SCHEMBL9070889 0.85 RAB9A (0.44) SMN1; SMN2L3MBTL1RAB9ANPC1LMNA
SCHEMBL9070826 0.85 POLB (0.45) SMN1; SMN2L3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL9070888 0.82 PIK3CA (0.47) SMN1; SMN2L3MBTL1RAB9ANPC1LMNA
SCHEMBL2667715 0.79 NPC1 (0.50) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL2667933 0.78 LMNA (0.43) SMN1; SMN2RAB9ANPC1LMNAMAPK1
SCHEMBL9070830 0.78 NPC1 (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1LMNA
SCHEMBL2667605 0.77 NPC1 (0.48) SMN1; SMN2L3MBTL1RAB9ANPC1ADRB2
SCHEMBL9070825 0.76 GCK (0.56) SMN1; SMN2RAB9ANPC1

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