SCHEMBL28227635

SCHEMBL28227635

COc1cccc(Cn2c(-c3cccc(OC)c3)nc3ccccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.69
MAPT P10636 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.67
HTT P42858 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
TSHR P16473 1/20 0.66
KDM4E B2RXH2 4/20 0.65
LMNA P02545 2/20 0.65
CNR2 P34972 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
PDE6D O43924 1/20 0.60
ALDH2 P05091 1/20 0.60
ALDH3A1 P30838 1/20 0.60
GAA P10253 2/20 0.60
POLB P06746 1/20 0.59
CSF1R P07333 1/20 0.55

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
SCHEMBL8022127 0.95 TP53 (0.75) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8021696 0.87 MAPT (0.61) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL10443667 0.84 ALDH1A1 (0.82) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8027362 0.84 KDM4E (0.79) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL18890616 0.83 MAPT (0.61) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL18890598 0.82 MAPT (0.63) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL23361809 0.82 CSF1R (0.76) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL4089473 0.82 MAPT (0.63) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL30897373 0.82 POLB (0.61) TP53MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL29412044 0.80 TP53 (1.00) TP53MAPTSMN1; SMN2HTTALDH1A1

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
CN-108250202-B 2,3- disubstituted benzenes and imidazo [1,2-a] pyrimidines and its preparation method and application 陕西师范大学 2019-10-25 CN disclosed
CN-108250202-A 2,3- disubstituted benzenes and imidazo [1,2-a] pyrimidines and its preparation method and application 陕西师范大学 2018-07-06 CN disclosed