SCHEMBL30743995

SCHEMBL30743995

CN(C)C(=O)COc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP19A1 P11511 8/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL21305484 1.00 ALDH1A1 (0.45) ALDH1A1CYP19A1PTGDR2HIF1AL3MBTL1
SCHEMBL16094987 0.88 ALDH1A1 (0.43) ALDH1A1CYP19A1PTGDR2HIF1AL3MBTL1
SCHEMBL16095891 0.83 PTGDR2 (0.60) ALDH1A1CYP19A1PTGDR2HIF1AKMT2A
SCHEMBL16096315 0.83 MAPT (0.49) ALDH1A1KMT2AGAALMNAMAPT
SCHEMBL3643810 0.81 HTT (0.54) ALDH1A1CYP19A1HIF1AL3MBTL1KMT2A
SCHEMBL16096386 0.79 ALDH1A1 (0.43) ALDH1A1CYP19A1PTGDR2HIF1AL3MBTL1
SCHEMBL16096388 0.79 PTGDR2 (0.41) ALDH1A1CYP19A1PTGDR2HIF1AL3MBTL1
SCHEMBL30743999 0.79 SMN1; SMN2 (0.54) ALDH1A1CYP19A1PTGDR2HIF1AL3MBTL1
SCHEMBL21305402 0.79 SMN1; SMN2 (0.54) ALDH1A1CYP19A1PTGDR2HIF1AL3MBTL1
SCHEMBL2938530 0.78 HTT (0.53) ALDH1A1HIF1AL3MBTL1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819172-B Triazine derivatives for the treatment of neurotrophin related diseases 阿泽克制药公司 2024-02-06 CN disclosed