SCHEMBL2667951

SCHEMBL2667951

CC(C)Oc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc(OCCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NOX1 Q9Y5S8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GCK P35557 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL2667716 0.81 KDM4E (0.48) HSD17B10LMNARAB9AKDM4EALDH1A1
SCHEMBL2667712 0.81 NPC1 (0.53) HTTTSHRNPC1RAB9AKDM4E
SCHEMBL2668008 0.81 NPC1 (0.51) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL9070864 0.80 NPC1 (0.54) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2667713 0.76 NPC1 (0.52) HTTTSHRNPC1RAB9AKDM4E
SCHEMBL2667715 0.76 NPC1 (0.50) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL2667943 0.76 NPC1 (0.54) HTTTSHRHSD17B10LMNANPC1
SCHEMBL2667954 0.75 GCK (0.76) GCK
SCHEMBL2667642 0.72 KDM4E (0.48) HSD17B10LMNARAB9AKDM4EALDH1A1
SCHEMBL9070866 0.72 KDM4E (0.47) TSHRHSD17B10LMNARAB9AKDM4E

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