SCHEMBL28557139

SCHEMBL28557139

O=C(/C=C/c1ccc2ccccc2c1)NC(Cn1ccnc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIN1 Q13526 2/20 0.44
TBXAS1 P24557 1/20 0.43

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
SCHEMBL28429067 0.87 PIN1 (0.53) POLBALDH1A1PIN1TBXAS1
SCHEMBL28429065 0.87 PIN1 (0.53) POLBALDH1A1PIN1TBXAS1
SCHEMBL28571346 0.84 TBXAS1 (0.47) POLBPIN1TBXAS1
SCHEMBL28565823 0.84 MAPT (0.46) POLBALDH1A1MAPTHTTNPSR1
SCHEMBL28559713 0.83 HDAC6 (0.49) POLBMAPTHTT
SCHEMBL28437517 0.83 PIN1 (0.45) POLBPIN1TBXAS1
SCHEMBL28569096 0.82 AURKA (0.47) POLBALDH1A1MAPTTBXAS1
SCHEMBL28559268 0.82 UTS2R (0.46) UTS2RPOLBALDH1A1MAPTHTT
SCHEMBL28574449 0.82 NAMPT (0.46) MAPTTBXAS1
SCHEMBL28426918 0.81 PADI4 (0.58) POLBALDH1A1PIN1TBXAS1

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-112142673-A Arylalkenole derivative and preparation method and application thereof 聊城大学 2020-12-29 CN claimed
CN-112142673-A Arylalkenole derivative and preparation method and application thereof 聊城大学 2020-12-29 CN disclosed