SCHEMBL2667943

SCHEMBL2667943

CCCCCOc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
HTT P42858 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
CYP2C9 P11712 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL9070899 0.79 RAB9A (0.49) NPC1RAB9AHTTSMN1; SMN2ALDH1A1
SCHEMBL9070900 0.79 RAB9A (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9070898 0.78 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2667941 0.76 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL2667951 0.76 HTT (0.47) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL9070896 0.71 HCAR3 (0.52)
SCHEMBL6372226 0.68 MAPT (0.71) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL27800812 0.68 RAF1 (0.51) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL2667942 0.68 RAB9A (0.62) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL14999469 0.66 SMN1; SMN2 (0.74) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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