SCHEMBL2667375

SCHEMBL2667375

CC(C)Oc1cc(C(=O)Nc2nncs2)cc(Oc2ccc(S)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GCK P35557 4/20 0.42
AQP4 P55087 1/20 0.40
PTGDR Q13258 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL9070874 0.83 RAB9A (0.59) RAB9ALMNANPC1SMN1; SMN2KDM4E
SCHEMBL9070820 0.79 RAB9A (0.49) RAB9ALMNANPC1SMN1; SMN2KDM4E
SCHEMBL2667596 0.79 RAB9A (0.49) RAB9ALMNANPC1SMN1; SMN2KDM4E
SCHEMBL9070891 0.79 NOX1 (0.49) RAB9ALMNASMN1; SMN2KDM4EGCK
SCHEMBL9070883 0.79 NOX1 (0.49) RAB9ALMNASMN1; SMN2KDM4EGCK
SCHEMBL2667626 0.79 NOX1 (0.49) RAB9ALMNASMN1; SMN2KDM4EGCK
SCHEMBL9070878 0.78 RAB9A (0.51) RAB9ALMNANPC1SMN1; SMN2KDM4E
SCHEMBL9070877 0.78 RAB9A (0.51) RAB9ALMNANPC1SMN1; SMN2KDM4E
SCHEMBL9070881 0.78 RAB9A (0.51) RAB9ALMNANPC1SMN1; SMN2KDM4E
SCHEMBL9070805 0.78 RAB9A (0.50) RAB9ALMNANPC1SMN1; SMN2KDM4E

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