SCHEMBL8000773

SCHEMBL8000773

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PARP1 P09874 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ULK1 O75385 1/20 0.32
MAT2A P31153 1/20 0.32

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
SCHEMBL7988843 0.89 AR (0.48) ARKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7997368 0.84 AR (0.42) ARKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7999685 0.83 AR (0.38) ARKDM4EALDH1A1KMT2AMEN1
SCHEMBL8004409 0.82 AR (0.42) ARKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7997928 0.81 UNG (0.37) ARKDM4EALDH1A1MAPT
SCHEMBL8000610 0.81 PARP1 (0.49) ARKDM4EALDH1A1SMN1; SMN2PARP1
SCHEMBL8004193 0.81 GRIN2D (0.46) ARKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL8001216 0.81 AR (0.36) ARMAPT
SCHEMBL8001212 0.81 ALDH1A1 (0.36) ARKDM4EALDH1A1KMT2AMEN1
SCHEMBL8004462 0.80 AR (0.45) ARKDM4EALDH1A1SMN1; SMN2KMT2A

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-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