SCHEMBL2668167

SCHEMBL2668167

C/N=C(/NC(N)=S)c1cc(-n2nc(C)cc2C)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
TERT O14746 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL6786238 0.73 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL6839351 0.67 MAPT (0.50) ALDH1A1L3MBTL1MAPTRAB9AHPGD
SCHEMBL28855113 0.65 MAPK1 (0.59) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL29120365 0.65 MAPT (0.67) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL1784439 0.64 ALDH1A1 (0.77) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL1353576 0.64 TERT (0.66) ALDH1A1L3MBTL1MAPTNPSR1TDP1
Hydrochloric Acid SCHEMBL16703681 0.63 TERT (0.64) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL2661892 0.63 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL19384938 0.62 MAPT (0.52) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL19384939 0.62 MAPT (0.52) ALDH1A1L3MBTL1MAPTNPSR1TDP1

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-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed