SCHEMBL2667552

SCHEMBL2667552

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2ccc(C(=O)N3CCOCC3)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CPT1A P50416 9/20 0.42
CPT1B Q92523 9/20 0.42
GCK P35557 2/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 4/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCD O00767 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
PTBP1 P26599 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 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
SCHEMBL9070943 0.93 GCK (0.45) ALDH1A1CPT1ACPT1BGCKMAPT
SCHEMBL9070911 0.93 GCK (0.46) ALDH1A1CPT1ACPT1BGCKMAPT
SCHEMBL9070840 0.92 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MAPK1CYP1A2
SCHEMBL2667481 0.92 F2 (0.42) CPT1ACPT1BGCKMAPTCYP1A2
SCHEMBL9070953 0.90 SCD (0.46) ALDH1A1CPT1ACPT1BGCKMAPT
SCHEMBL9070839 0.89 POLB (0.47) ALDH1A1GCKMAPTSMN1; SMN2MAPK1
SCHEMBL2667351 0.87 GCK (0.48) ALDH1A1GCKMAPTSMN1; SMN2MAPK1
SCHEMBL2667766 0.85 GCK (0.41) ALDH1A1GCKMAPTSMN1; SMN2MAPK1
SCHEMBL2667778 0.85 GCK (0.49) ALDH1A1GCKSMN1; SMN2SCDLMNA
SCHEMBL9070969 0.85 GCK (0.54) GCK

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