SCHEMBL28958764

SCHEMBL28958764

c1ccc(CNCc2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
DRD2 P14416 4/20 0.56
DRD4 P21917 4/20 0.56
DRD3 P35462 4/20 0.56
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACKR3 P25106 1/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL8808533 0.90 GFER (0.59) HPGDDRD2DRD4DRD3ALDH1A1
SCHEMBL12608407 0.85 HPGD (0.65) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL23374717 0.83 HPGD (0.58) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL10864066 0.83 HPGD (0.55) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL7687826 0.83 HPGD (0.62) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL7688434 0.81 HPGD (0.57) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL7695158 0.81 HPGD (0.54) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL14416100 0.81 HPGD (0.64) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL15677326 0.81 HPGD (0.50) HPGDDRD2DRD4DRD3KDM4E
SCHEMBL18466518 0.81 HPGD (0.59) HPGDDRD2DRD4DRD3KDM4E

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-113264901-B Amino phenol oxygroup zinc complex containing 2-substituted thiazole-4-group and preparation method and application thereof 华东理工大学 2023-02-28 CN disclosed
CN-113264901-A Amino phenol oxygroup zinc complex containing 2-substituted thiazole-4-group and preparation method and application thereof 华东理工大学 2021-08-17 CN disclosed