SCHEMBL28457553

SCHEMBL28457553

O=C(On1ccnn1)c1ccc(C(=O)On2ccnn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.38
CYP1A1 P04798 2/20 0.38
HTT P42858 1/20 0.36
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HSD17B10 Q99714 1/20 0.33
FBP1 P09467 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11035695 0.91 CYP19A1 (0.47) CYP19A1CYP1A1TDP1MAPTPOLB
SCHEMBL11298676 0.81 KDM4E (0.44) GAAHSD17B10CA1CA2TDP1
SCHEMBL27745224 0.80 KMT2A (0.48) GAATDP1MAPTKDM4EPOLB
SCHEMBL27745225 0.75 CES2 (0.42) MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL4050748 0.74
SCHEMBL1148591 0.74
SCHEMBL1821941 0.69 NOTUM (0.30)
SCHEMBL28204887 0.69
SCHEMBL30724678 0.69
SCHEMBL22391983 0.67 HTT (0.55) CYP19A1HTTCA1CA2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108840878-B Preparation method and application of copper complex 广东医科大学 2020-08-25 CN claimed
CN-108840878-B Preparation method and application of copper complex 广东医科大学 2020-08-25 CN disclosed
CN-108840878-B Preparation method and application of copper complex 广东医科大学 2020-08-25 CN disclosed