SCHEMBL30189331

SCHEMBL30189331

CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
ADORA3 P0DMS8 4/20 0.54
POLB P06746 3/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 2/20 0.52
DHODH Q02127 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ACACA Q13085 1/20 0.50
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 3/20 0.49
GABRA2 P47869 1/20 0.49

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
SCHEMBL398241 0.95 SMN1; SMN2 (0.53) SMN1; SMN2TP53ADORA3POLBGAA
SCHEMBL397116 0.95 SMN1; SMN2 (0.53) SMN1; SMN2TP53ADORA3POLBGAA
SCHEMBL394369 0.94 SMN1; SMN2 (0.54) SMN1; SMN2TP53ADORA3POLBGAA
SCHEMBL397192 0.92 ADORA3 (0.60) SMN1; SMN2ADORA3GAAMAPTKDM4E
SCHEMBL28335019 0.92 ADORA3 (0.63) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL30189329 0.92 ADORA3 (0.63) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL395310 0.89 ADORA3 (0.57) SMN1; SMN2ADORA3POLBGAAMAPT
SCHEMBL30189327 0.89 ADORA3 (0.57) SMN1; SMN2ADORA3POLBGAAMAPT
SCHEMBL30189489 0.87 ADORA3 (0.55) SMN1; SMN2ADORA3GAAMAPTKDM4E
SCHEMBL30189330 0.87 ADORA3 (0.55) SMN1; SMN2ADORA3GAAMAPTKDM4E

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-115636782-B Synthesis method of polyaryl substituted pyridine 浙江工业大学 2024-07-19 CN disclosed
CN-115636782-A Synthetic method of polyaryl substituted pyridine 浙江工业大学 2023-01-24 CN disclosed