SCHEMBL2667643

SCHEMBL2667643

COc1cc(C(=O)Nc2nc(C)cs2)cc(OCCc2ccsc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.48
GCK P35557 6/20 0.45
SCD O00767 2/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM5 P41594 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPK10 P53779 1/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL9070963 0.90 GCK (0.52) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2667651 0.90 GCK (0.46) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2667946 0.87 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2667945 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL9070914 0.84 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2667757 0.83 GRM5 (0.47) RAB9ANPC1MAPTGCKSCD
SCHEMBL2667947 0.81 CASP3 (0.56) RAB9ANPC1SMN1; SMN2MAPTSCD
SCHEMBL2664826 0.80 GCK (0.66) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2667940 0.80 GCK (0.68) GCK
SCHEMBL2667652 0.80 GCK (0.46) RAB9AMAPTGCKSCDPTGES

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