SCHEMBL2667945

SCHEMBL2667945

COc1cc(C(=O)Nc2nncs2)cc(OCCc2ccsc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 3/20 0.45
GCK P35557 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NOX1 Q9Y5S8 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AQP4 P55087 1/20 0.38
MAPT P10636 3/20 0.38

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
SCHEMBL9070970 0.90 GCK (0.51) RAB9AKDM4EGCKPTGESALOX5
SCHEMBL2667946 0.87 SMN1; SMN2 (0.53) RAB9AGCKPTGESALOX5SMN1; SMN2
SCHEMBL2667643 0.86 RAB9A (0.49) RAB9AKDM4EGCKPTGESALOX5
SCHEMBL9070869 0.83 RAB9A (0.51) RAB9AKDM4ESMN1; SMN2NPC1L3MBTL1
SCHEMBL2667756 0.82 KCNH2 (0.40) RAB9AKDM4EGCKPTGESALOX5
SCHEMBL9070900 0.81 RAB9A (0.55) RAB9AKDM4ESMN1; SMN2NPC1L3MBTL1
SCHEMBL2667947 0.81 CASP3 (0.56) RAB9AKDM4ESMN1; SMN2NPC1L3MBTL1
SCHEMBL9070892 0.80 GCK (0.43) RAB9AKDM4EGCKPTGESALOX5
SCHEMBL2664677 0.80 GCK (0.66) RAB9AKDM4EGCKL3MBTL1LMNA
SCHEMBL2667940 0.79 GCK (0.68) 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