SCHEMBL9737655

SCHEMBL9737655

CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.59
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
LSS P48449 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
LMNA P02545 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.44
ALOX5 P09917 1/20 0.43
PDE10A Q9Y233 2/20 0.42

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
SCHEMBL9737428 0.89 KCNH2 (0.59) KCNH2GAABCHEACHELSS
SCHEMBL9736462 0.88 KCNH2 (0.58) KCNH2KDM4EALDH1A1BCHEACHE
SCHEMBL9736388 0.82 CYSLTR1 (0.48) CYSLTR2CYSLTR1GPBAR1ALOX5PDE10A
SCHEMBL9737324 0.82 ALDH1A1 (0.55) KCNH2GAAKDM4EALDH1A1LMNA
SCHEMBL9733327 0.82 ALDH1A1 (0.55) KCNH2GAAKDM4EALDH1A1LMNA
SCHEMBL9736703 0.82 ALDH1A1 (0.55) KCNH2GAAKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL9732991 0.81 ALDH1A1 (0.54) KCNH2GAAKDM4EALDH1A1LMNA
SCHEMBL8810787 0.80 KCNH2 (0.81) KCNH2ALDH1A1ACHEDRD2DRD4
SCHEMBL2567854 0.80 LMNA (0.69) GAAKDM4EALDH1A1CYSLTR2CYSLTR1
SCHEMBL9733233 0.78 CACNA1F (0.50) KCNH2ACHECYSLTR2CYSLTR1DRD3

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-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed