SCHEMBL7998972

SCHEMBL7998972

COc1c(OC(C)C)c(=O)n(C)c2cc(NCc3ccccc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
HIF1A Q16665 1/20 0.39
ADRA2A P08913 1/20 0.39
CASR P41180 1/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
GAA P10253 2/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8001420 0.91 MAOB (0.45) MAOBHPGDALDH1A1CA1CA2
SCHEMBL8004876 0.87 MEN1 (0.44) MAOBHIF1AADRA2ACASRHPGD
SCHEMBL8002068 0.87 ADRA2A (0.40) MAOBADRA2ACASRHPGDALDH1A1
SCHEMBL8001061 0.85 ADRA2A (0.41) MAOBADRA2ACASRHPGDALDH1A1
SCHEMBL7999670 0.85 MAOB (0.36) MAOBHIF1AADRA2ACASRHPGD
SCHEMBL7998747 0.85 MAOB (0.41) MAOBHPGDALDH1A1CA1CA2
SCHEMBL7999664 0.85 MAOB (0.36) MAOBHIF1AADRA2ACASRHPGD
SCHEMBL6581059 0.84 MEN1 (0.46) MAOBHIF1AHPGDALDH1A1CA1
SCHEMBL7998809 0.83 ADRA2A (0.42) MAOBADRA2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7997567 0.82 AR (0.37) HIF1AADRA2ACASRALDH1A1HTT

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