SCHEMBL7997368

SCHEMBL7997368

CNc1ccc2c(O)c(OC(C)C)c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.38
KDM5A P29375 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL8004462 0.85 AR (0.45) ARKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8000773 0.84 AR (0.42) ARKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7988949 0.82 AR (0.42) ARTP53KDM4EGRIN2DGRIN3B
SCHEMBL8004541 0.82 AR (0.42) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7988987 0.81 PARP1 (0.49) ARKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7999685 0.78 AR (0.38) ARKDM4EMEN1KMT2AGRIN2D
SCHEMBL8001212 0.78 ALDH1A1 (0.36) ARKDM4EMEN1KMT2A
SCHEMBL8001216 0.78 AR (0.36) AR
SCHEMBL7997773 0.77 PARP1 (0.53) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7997928 0.77 UNG (0.37) ARKDM4E

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