SCHEMBL10426020

SCHEMBL10426020

CCN(CC)CCOc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.55
▸ ACHE P22303 7/20 0.55
▸ MAOB P27338 3/20 0.50
▸ HSP90AA1 P07900 1/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ MAPT P10636 2/20 0.46

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
SCHEMBL10426021 1.00 BCHE (0.55) BCHEACHEMAOBHSP90AA1CCR6
Bromide SCHEMBL10426111 0.99 BCHE (0.54) BCHEACHEMAOBHSP90AA1CCR6
Bromide SCHEMBL10426109 0.99 BCHE (0.54) BCHEACHEMAOBHSP90AA1CCR6
SCHEMBL10426023 0.83 BCHE (0.59) BCHEACHEMAOBKDM4EALDH1A1
Bromide SCHEMBL10426077 0.81 LMNA (0.50) KDM4EALDH1A1LMNAMAPT
SCHEMBL10425884 0.81 ALDH1A1 (0.56) MAOBKDM4EALDH1A1LMNAMAPT
Bromide SCHEMBL10426701 0.80 ALDH1A1 (0.55) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL5109206 0.79 L3MBTL1 (0.53) BCHEACHEKDM4EALDH1A1LMNA
SCHEMBL10426725 0.78 BCHE (0.53) BCHEACHEMAOBKDM4EALDH1A1
Bromide SCHEMBL10425849 0.78 BCHE (0.53) BCHEACHEMAOBKDM4EALDH1A1

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
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 — — US disclosed
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