SCHEMBL2667686

SCHEMBL2667686

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OCc2cc(F)cc(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SCD O00767 6/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE5A O76074 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CPT1A P50416 2/20 0.40
CPT1B Q92523 2/20 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
SCHEMBL2667671 0.88 GRM5 (0.48) SCDRAB9ANPC1MAPT
SCHEMBL2667648 0.87 GRM5 (0.46) MAPK1HTTSCDALDH1A1PDE5A
SCHEMBL2667659 0.86 SCD (0.50) MAPK1HTTSCDALDH1A1PDE5A
SCHEMBL2667666 0.85 SCD (0.48) SCDALDH1A1PDE5AKDM4ELMNA
SCHEMBL2667670 0.83 GCK (0.54) MAPK1RAB9ANPC1MAPT
SCHEMBL2667590 0.83 MAPK1 (0.47) MAPK1HTTSCDALDH1A1PDE5A
SCHEMBL9071000 0.83 KDM4E (0.50) MAPK1HTTSCDALDH1A1PDE5A
SCHEMBL2667707 0.82 RAB9A (0.44) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL9070809 0.81 MAPK1 (0.45) MAPK1HTTSCDALDH1A1PDE5A
SCHEMBL9071045 0.81 CPT1A (0.43) MAPK1HTTSCDPDE5ACPT1A

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