SCHEMBL30001720

SCHEMBL30001720

O=C([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-].O=C([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-].[Ni+2]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.49
CTSD P07339 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.41
KCNMA1 Q12791 1/20 0.41
APEX1 P27695 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4103991 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
Lithium Ion SCHEMBL30584157 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL30001741 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL4099227 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
Potassium Ion SCHEMBL4088712 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
Zinc Ion SCHEMBL28338907 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
Lithium Ion SCHEMBL7791980 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL4102818 0.96 GPR35 (0.56) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL30893562 0.85 TSHR (0.68) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL7417028 0.85 GPR35 (0.60) GPR35TSHRALDH1A1CTSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890851-B Nano composite burning-rate catalyst of transition metal compound embedded in carbon nano tube 陕西师范大学 2023-06-02 CN disclosed
CN-114890851-B Nano composite burning-rate catalyst of transition metal compound embedded in carbon nano tube 陕西师范大学 2023-06-02 CN disclosed
CN-114890851-A Nano composite burning rate catalyst with carbon nano tube embedded transition metal compound 陕西师范大学 2022-08-12 CN disclosed
CN-114890851-A Nano composite burning rate catalyst with carbon nano tube embedded transition metal compound 陕西师范大学 2022-08-12 CN disclosed