SCHEMBL11023596

SCHEMBL11023596

C=CC(=O)c1ccc([N+](=O)[O-])cc1CN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.65
KCNJ1 P48048 3/20 0.52
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11019878 0.81 CYP2A13 (0.55) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL922732 0.79 CTSB (1.00) CTSBKCNJ1ALDH1A1LMNASMN1; SMN2
SCHEMBL11018569 0.79 KDM4E (0.53) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL10692345 0.78 CTSB (0.97) CTSBKCNJ1ALDH1A1LMNASMN1; SMN2
SCHEMBL10692339 0.78 CTSB (0.97) CTSBKCNJ1ALDH1A1LMNASMN1; SMN2
SCHEMBL11019683 0.77 CYP2A13 (0.51) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL17979926 0.76 CTSB (0.71) CTSBKCNJ1ALDH1A1LMNASMN1; SMN2
SCHEMBL15000189 0.76 CTSB (0.71) CTSBKCNJ1ALDH1A1LMNASMN1; SMN2
SCHEMBL521635 0.76 LMNA (0.71) CTSBKCNJ1ALDH1A1LMNASMN1; SMN2
SCHEMBL922716 0.76 KCNJ1 (0.74) CTSBKCNJ1ALDH1A1LMNASMN1; SMN2

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
EP-0156785-A1 2-(Aminoalkyl)-acrylophenones, their preparation and their use S.A.R.L. GALEPHAR (FR) 1985-10-02 EP disclosed