SCHEMBL9070943

SCHEMBL9070943

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2ccc(C(=O)N3CCCC3)cn2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.45
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
CPT1A P50416 8/20 0.41
CPT1B Q92523 8/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
SCD O00767 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL9070911 0.98 GCK (0.46) GCKF2F10CPT1ACPT1B
SCHEMBL2667481 0.94 F2 (0.42) GCKF2F10CPT1ACPT1B
SCHEMBL2667552 0.93 ALDH1A1 (0.43) GCKCPT1ACPT1BALDH1A1LMNA
SCHEMBL9070969 0.92 GCK (0.54) GCKKCNH2
SCHEMBL9070948 0.92 MAPT (0.53) GCKALDH1A1LMNATSHRMAPK1
SCHEMBL2667766 0.91 GCK (0.41) GCKF2F10KCNH2ALDH1A1
SCHEMBL9070915 0.90 MAPT (0.53) GCKALDH1A1LMNATSHRMAPK1
SCHEMBL2667694 0.90 GCK (0.48) GCKF2F10CPT1ACPT1B
SCHEMBL9070833 0.88 GCK (0.50) GCKF2F10CPT1ACPT1B
SCHEMBL2667474 0.86 MAPT (0.51) ALDH1A1LMNATSHRMAPK1CYP1A2

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