SCHEMBL2667376

SCHEMBL2667376

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
GAA P10253 3/20 0.38
GCK P35557 3/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2667759 0.89 GCK (0.47) F2F10GCK
SCHEMBL9070932 0.87 GCK (0.44) ALDH1A1SMN1; SMN2F2F10GCK
SCHEMBL9070832 0.85 F10 (0.43) ALDH1A1SMN1; SMN2LMNAF2F10
SCHEMBL2667444 0.85 F2 (0.41) F2F10GCK
SCHEMBL2667770 0.84 F2 (0.43) ALDH1A1SMN1; SMN2LMNAF2F10
SCHEMBL2667727 0.81 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL2667771 0.81 SCN9A (0.43) ALDH1A1LMNAF2F10GAA
SCHEMBL2667377 0.80 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL2667379 0.79 GCK (0.57) GCK
SCHEMBL9071042 0.79 GCK (0.62) ALDH1A1TSHRSMN1; SMN2LMNAGCK

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