SCHEMBL6578873

SCHEMBL6578873

CCOC(=O)c1ccc([N+](=O)[O-])cc1N(C)C(=O)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.45
MAPK10 P53779 1/20 0.45
AR P10275 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL6581391 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL6576522 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL6581968 0.88 KMT2A (0.49) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7964554 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL6581956 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL6578789 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTARKMT2A
SCHEMBL6579467 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL6582119 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTARKMT2A
SCHEMBL6579783 0.82 TSHR (0.48) SMN1; SMN2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL8004126 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAMAPTAR

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed