SCHEMBL8004876

SCHEMBL8004876

CC(C)Oc1c(O)c2ccc(NCc3ccccc3)cc2n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ADRA2A P08913 1/20 0.39
CASR P41180 1/20 0.39
GAA P10253 2/20 0.38
HIF1A Q16665 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL6581059 0.88 MEN1 (0.46) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL7998972 0.87 MAOB (0.41) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL7989247 0.85 MEN1 (0.47) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL8001415 0.85 MEN1 (0.44) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL7999670 0.83 MAOB (0.36) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL7997311 0.83 POLB (0.43) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL8002068 0.83 ADRA2A (0.40) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL7999664 0.83 MAOB (0.36) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL7988001 0.82 GSK3B (0.38) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL8001220 0.82 KDM4E (0.43) MEN1KMT2ANPC1RAB9AALDH1A1

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