SCHEMBL3854487

SCHEMBL3854487

CC(C)(C)OC(=O)NCc1cc(Cl)ccc1OC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
GAA P10253 1/20 0.43
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
PTGER1 P34995 2/20 0.40
KDM4A O75164 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
ANO1 Q5XXA6 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL3730313 0.86 MAPT (0.45) IDO1GAAPTGER1MEN1KMT2A
SCHEMBL21987969 0.82 IDO1 (0.48) IDO1GAAKDM4AALDH1A1HPGD
SCHEMBL7404611 0.82 IDO1 (0.41) IDO1GAASLC6A2SLC6A4SLC6A3
SCHEMBL7372767 0.81 MAPT (0.58) IDO1PTGER1CYP2C9MAPTNPSR1
SCHEMBL6921464 0.81 IDO1 (0.50) IDO1GAAPTGER1KDM4AALDH1A1
SCHEMBL27988801 0.81 IDO1 (0.53) IDO1GAAKDM4AALDH1A1HPGD
SCHEMBL711731 0.81 IDO1 (0.50) IDO1GAAKDM4AALDH1A1HPGD
SCHEMBL700928 0.81 IDO1 (0.50) IDO1GAAKDM4AALDH1A1HPGD
SCHEMBL7257883 0.81 IDO1 (0.46) IDO1GAAPTGER1KDM4AALDH1A1
SCHEMBL3734185 0.80 ANO1 (0.51) IDO1GAAKDM4AALDH1A1HPGD

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-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO disclosed