SCHEMBL6960641

SCHEMBL6960641

CC(C)c1nc(/C=N/O)n(Cc2ccncc2)c1Sc1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 2/20 0.32
HTR6 P50406 2/20 0.32
ACHE P22303 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6960647 1.00 IDO1 (0.36) IDO1TDP1L3MBTL1MAPTTP53
SCHEMBL6968696 0.91 ACHE (0.35) IDO1TDP1ACHEKCNH2MEN1
SCHEMBL6968691 0.91 ACHE (0.35) IDO1TDP1ACHEKCNH2MEN1
SCHEMBL6966644 0.91 ALDH1A1 (0.38) IDO1TDP1L3MBTL1MAPTTP53
SCHEMBL6966647 0.91 ALDH1A1 (0.38) IDO1TDP1L3MBTL1MAPTTP53
SCHEMBL6973384 0.90 GRIN1 (0.36) IDO1TP53ALDH1A1HPGDHTT
SCHEMBL6973380 0.90 GRIN1 (0.36) IDO1TP53ALDH1A1HPGDHTT
SCHEMBL6969046 0.89 ALDH1A1 (0.34) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6969050 0.89 ALDH1A1 (0.34) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6969927 0.87 IDO1 (0.38) IDO1TDP1L3MBTL1TP53HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed