SCHEMBL28118933

SCHEMBL28118933

Nc1c(C(=O)O)[nH]c(=O)[nH]c1=O.[Cd]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
THRB P10828 1/20 0.55
LIPG Q9Y5X9 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHODH Q02127 7/20 0.37
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TYMP P19971 3/20 0.35
PNP P00491 1/20 0.35

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
SCHEMBL190140 0.98 JAK2 (0.57) JAK2THRBLIPGKDM4EALDH1A1
SCHEMBL5209445 0.80 JAK2 (0.42) JAK2THRBLIPGKDM4EALDH1A1
SCHEMBL122310 0.76 JAK2 (0.57) JAK2THRBDHODHTYMP
SCHEMBL21996611 0.75 GDA (0.43) JAK2THRBLIPGKDM4EALDH1A1
SCHEMBL22783664 0.75 JAK2 (0.61) JAK2THRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL18704204 0.75 JAK2 (0.50) JAK2THRBALDH1A1TDP1DHODH
Hydrochloric Acid SCHEMBL11433334 0.74 JAK2 (0.55) JAK2THRBDHODHTYMP
SCHEMBL16543119 0.74 LIPG (0.46) JAK2THRBLIPGKDM4EALDH1A1
SCHEMBL31330663 0.74 KDM4C (0.51) JAK2THRBLIPGKDM4EALDH1A1
SCHEMBL25391975 0.73 JAK2 (0.59) JAK2THRBLIPGALDH1A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106366100-A 5-aminoorotic acid dinuclear cadmium complex 宁波大学 2017-02-01 CN claimed
CN-106366100-B A kind of 5- amino orotic acid Dinuclear cadmium complex 宁波大学 2018-06-15 CN disclosed
CN-106243136-B A kind of purple fluorescence material and preparation method thereof 宁波大学 2018-06-15 CN disclosed
CN-106366100-A 5-aminoorotic acid dinuclear cadmium complex 宁波大学 2017-02-01 CN disclosed
CN-106243136-A A kind of purple fluorescence material and preparation method thereof 宁波大学 2016-12-21 CN disclosed