SCHEMBL2667595

SCHEMBL2667595

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC2CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
PDE5A O76074 2/20 0.44
GRM5 P41594 3/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SCD O00767 2/20 0.42
CPT1A P50416 4/20 0.41
CPT1B Q92523 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CPT2 P23786 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 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
SCHEMBL2667593 0.90 MAPK1 (0.60) MAPK1HTTALDH1A1TDP1LMNA
SCHEMBL2667662 0.86 GRM5 (0.59) GRM5ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2667590 0.82 MAPK1 (0.47) MAPK1HTTPDE5AALDH1A1LMNA
SCHEMBL2668009 0.82 GRM5 (0.48) MAPK1HTTPDE5AGRM5ALDH1A1
SCHEMBL2667587 0.81 SCD (0.51) MAPK1HTTPDE5AALDH1A1SCD
SCHEMBL2667704 0.81 SCD (0.51) MAPK1HTTPDE5AALDH1A1SCD
SCHEMBL2667663 0.81 GCK (0.53) MAPK1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2667599 0.81 RAB9A (0.47) GRM5ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL2667629 0.80 ALDH1A1 (0.52) MAPK1HTTPDE5AALDH1A1SCD
SCHEMBL2667668 0.80 ALDH1A1 (0.52) MAPK1HTTPDE5AALDH1A1SCD

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