SCHEMBL7913532

SCHEMBL7913532

C=C(C(=O)OC)C1CCCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
AR P10275 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL8084718 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL6893874 0.80 MAPT (0.50) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7978483 0.80 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL7981185 0.80 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9449526 0.77 MAPT (0.49) MAPTKMT2A
SCHEMBL9703576 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNANPSR1KMT2A
SCHEMBL15522549 0.74 KMT2A (0.55) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL8404563 0.74 MAPT (0.42) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL10120229 0.72 ITGB2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL28493144 0.72 AR (0.55) SMN1; SMN2MAPTAR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093454-A1 CHIRAL COMPOUNDS AND THEIR USE AS DOPING AGENTS IN LIQUID CRYSTALS Rolic AG (CH) 2001-04-25 EP disclosed
WO-2000002856-A1 CHIRAL COMPOUNDS AND THEIR USE AS DOPING AGENTS IN LIQUID CRYSTALS ROLIC AG (CH) 2000-01-20 WO disclosed
US-4804255-A Acrylic polymers exhibiting chiral and nonlinear optical properties HOECHST CELANESE CORP. (US) 1989-02-14 US disclosed