SCHEMBL9733327

SCHEMBL9733327

CN(Cc1ccc2ccccc2n1)CC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.45
KDM1A O60341 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.42
KCNH2 Q12809 1/20 0.41
PDE10A Q9Y233 2/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 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
SCHEMBL9736703 1.00 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL9737324 1.00 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9732991 0.99 ALDH1A1 (0.54) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL9737655 0.82 KCNH2 (0.59) ALDH1A1GAAKDM4ELMNAALOX5
SCHEMBL9732366 0.80 ALDH1A1 (0.51) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL9732974 0.80 PKM (0.53) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL9737861 0.80 KCNH2 (0.54) MAPK1KCNH2
SCHEMBL9736710 0.80 KCNH2 (0.54) MAPK1KCNH2
SCHEMBL9732998 0.80 KCNH2 (0.54) MAPK1KCNH2
SCHEMBL9738738 0.80 KCNH2 (0.50) ALDH1A1GAAMAPK1KCNH2

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
US-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US claimed
WO-1991009023-A1 N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-27 WO claimed
US-5104892-A N-heteroalkyl substitutes 1-aryloxy-2-propanolamine AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-14 US disclosed
US-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed