SCHEMBL9070890

SCHEMBL9070890

COc1cc(C(=O)Nc2nc(C)cs2)cc(S(=O)(=O)CCCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
SCD O00767 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9070819 0.86 RAB9A (0.47) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL9070886 0.86 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL9070914 0.85 RAB9A (0.56) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2667498 0.83 SCD (0.51) RAB9ANPC1SMN1; SMN2SCDMAPT
SCHEMBL9070887 0.81 RAB9A (0.51) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL9070823 0.79 GCK (0.54) GCK
SCHEMBL9070889 0.74 RAB9A (0.44) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL9070864 0.72 NPC1 (0.54) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2667643 0.72 RAB9A (0.49) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2667661 0.72 NPC1 (0.54) GCKRAB9ANPC1SMN1; SMN2HPGD

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