SCHEMBL7977901

SCHEMBL7977901

Cn1c(=O)c(Oc2ccccc2)c(O)c2cc(NCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 5/20 0.51
HIF1A Q16665 4/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
FFAR1 O14842 6/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
GNA15 P30679 1/20 0.39
PTGER3 P43115 1/20 0.39

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
SCHEMBL6578834 0.89 KDM4E (0.52) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL6581634 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL6581059 0.80 MEN1 (0.46) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL6579112 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL8001415 0.77 MEN1 (0.44) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL8004876 0.77 MEN1 (0.44) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL7989247 0.77 MEN1 (0.47) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL6578836 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL6576851 0.77 TUBB4A (0.42) ALDH1A1KDM4EGAAMEN1NPC1
SCHEMBL7997311 0.76 POLB (0.43) ALDH1A1KDM4EGAAHPGDHIF1A

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
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