SCHEMBL30854979

SCHEMBL30854979

c1cc(CNc2ncco2)cc(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.49
ACHE P22303 1/20 0.46
PLK4 O00444 2/20 0.46
NTRK1 P04629 2/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX12 P18054 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
PIK3CB P42338 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
PLOD2 O00469 2/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
PRMT6 Q96LA8 1/20 0.42
CAMK2D Q13557 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL30438815 0.90 PRMT6 (0.53) AGXTACHENTRK1MAPTKDM4E
SCHEMBL30855015 0.87 AGXT (0.48) AGXTACHENTRK1ADORA3PLOD2
SCHEMBL30854968 0.86 KDM4E (0.57) ACHEPLK4MAPTHTTKDM4E
SCHEMBL30854948 0.79 KDM4E (0.69) AGXTPLK4NTRK1MAPTHTT
SCHEMBL30855009 0.79 HDAC3 (0.53) PLK4NTRK1HDAC1CAMK2D
SCHEMBL30854953 0.77 AGXT (0.48) AGXTACHEPLK4NTRK1MAPT
SCHEMBL30854998 0.77 GAA (0.51) ACHEPLK4MAPTHTTKDM4E
SCHEMBL30854949 0.77 L3MBTL1 (0.60) AGXTPLK4NTRK1MAPTHTT
SCHEMBL1038303 0.74 PRMT6 (0.72) AGXTNTRK1MAPTKDM4EHDAC4
SCHEMBL30854951 0.73 NCF1 (0.50) ACHEMAPTHTTKDM4EALOX12

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-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed