SCHEMBL6581968

SCHEMBL6581968

CCOC(=O)c1ccc([N+](=O)[O-])cc1N(C)C(=O)COc1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 6/20 0.45
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40

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 0.89 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL6576522 0.89 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL6578873 0.88 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL6582413 0.84 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2MAPTMEN1POLB
SCHEMBL6581956 0.84 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL6578940 0.81 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MAPTMEN1TDP1
SCHEMBL6582119 0.81 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2MAPTMEN1TDP1
SCHEMBL8004126 0.80 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2MAPTMEN1POLB
SCHEMBL7964554 0.80 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL6579764 0.78 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2MAPTMEN1TDP1

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