SCHEMBL2667487

SCHEMBL2667487

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OCc2nccn2C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PDE5A O76074 2/20 0.41
CPT1A P50416 8/20 0.40
CPT1B Q92523 8/20 0.40
NOX1 Q9Y5S8 1/20 0.40
SCD O00767 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CPT2 P23786 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2667826 0.91 MAPK1 (0.55) MAPK1HTTLMNATSHRALDH1A1
SCHEMBL2667485 0.89 GCK (0.45) NOX1CASP3SENP8SENP6RAB9A
SCHEMBL2667486 0.85 GCK (0.44) MAPK1NOX1CASP3SENP8SENP6
SCHEMBL2667686 0.81 MAPK1 (0.43) MAPK1HTTPDE5ACPT1ACPT1B
SCHEMBL9070809 0.79 MAPK1 (0.45) MAPK1HTTPDE5ACPT1ACPT1B
SCHEMBL9071068 0.79 MEN1 (0.45) MAPK1HTTCPT1ACPT1BSCD
SCHEMBL2667666 0.79 SCD (0.48) PDE5ACPT1ACPT1BSCDLMNA
SCHEMBL2667590 0.79 MAPK1 (0.47) MAPK1HTTPDE5ACPT1ACPT1B
SCHEMBL2667659 0.79 SCD (0.50) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2668009 0.78 GRM5 (0.48) MAPK1HTTPDE5ACPT1ACPT1B

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