SCHEMBL9070815

SCHEMBL9070815

COC[C@@H](C)Oc1cc(C(=O)Nc2nccs2)cc(Oc2ccc(C(=O)N3CCOCC3)cn2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.51
KCNH2 Q12809 3/20 0.49
CYP2D6 P10635 1/20 0.45
ADORA2A P29274 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SCD O00767 1/20 0.40

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
SCHEMBL2667346 0.93 GCK (0.56) GCKKCNH2
SCHEMBL9071016 0.91 GCK (0.51) GCKKCNH2ALDH1A1SMN1; SMN2
SCHEMBL2667769 0.91 GCK (0.58) GCKKCNH2SCD
SCHEMBL2667778 0.91 GCK (0.49) GCKKCNH2CYP2D6ADORA2ANPC1
SCHEMBL9070812 0.89 GCK (0.54) GCKKCNH2NPC1RAB9AALDH1A1
SCHEMBL2667351 0.87 GCK (0.48) GCKKCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL2667345 0.86 GCK (0.58) GCKKCNH2
SCHEMBL9070817 0.84 ALDH1A1 (0.51) GCKALDH1A1MEN1KMT2ALMNA
SCHEMBL2667573 0.84 GCK (0.67) GCKKCNH2
SCHEMBL2667975 0.84 GCK (0.65) GCKKCNH2

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