SCHEMBL31069050

SCHEMBL31069050

CC1=CC(c2cccc([N+](=O)[O-])c2)C(=O)CN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
CACNA1C Q13936 2/20 0.41
CACNA1F O60840 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC9A1 P19634 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
SCHEMBL9668513 0.73 KMT2A (0.43) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL7420762 0.73 CACNA1F (0.54) LMNAKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL7420768 0.73 CACNA1F (0.54) LMNAKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL7834997 0.72 CACNA1D (0.51) LMNAKMT2AGAAALDH1A1ACHE
SCHEMBL7838163 0.72 KMT2A (0.53) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL30044577 0.72 TSHR (0.50) LMNAKMT2AGAAALDH1A1TSHR
SCHEMBL7888022 0.72 TSHR (0.50) LMNAKMT2AGAAALDH1A1TSHR
SCHEMBL11380050 0.71 CACNA1C (0.44) LMNAKMT2AALDH1A1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL28628233 0.71 TSHR (0.49) LMNAKMT2AGAAALDH1A1TSHR
Methyl Alcohol SCHEMBL28323753 0.69 LMNA (0.54) LMNAKMT2AGAATDP1ALDH1A1

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
EP-4649083-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS Universidad de Chile (CL) 2025-11-19 EP disclosed
WO-2024150029-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS UNIVERSIDAD DE CHILE (CL) 2024-07-18 WO disclosed