SCHEMBL7997377

SCHEMBL7997377

CCOC(=O)c1ccc([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 8/20 0.68
LMNA P02545 3/20 0.68
POLB P06746 3/20 0.68
HPGD P15428 2/20 0.68
GALR2 O43603 1/20 0.68
MITF O75030 1/20 0.68
HSP90AA1 P07900 1/20 0.68
XBP1 P17861 1/20 0.68
CCR6 P51684 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
KMT2A Q03164 5/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 2/20 0.59
TP53 P04637 1/20 0.59
PKM P14618 1/20 0.49
CYP19A1 P11511 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL6169051 0.93 SMN1; SMN2 (0.86) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL6581538 0.86 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL3606284 0.86 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL11450353 0.85 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL6576971 0.85 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1POLBHPGDKMT2A
SCHEMBL8004123 0.85 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL7305473 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL6171928 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL7723906 0.82 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL26687978 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAPOLBHPGD

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-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed