SCHEMBL7998747

SCHEMBL7998747

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.36

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 0.93 MAOB (0.45) MAOBHPGDALDH1A1CA1CA2
SCHEMBL8001415 0.87 MEN1 (0.44) MAOBHPGDALDH1A1CA1CA2
SCHEMBL7998584 0.87 ADRA2A (0.40) MAOBHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL8004054 0.86 MAOB (0.37) MAOBHPGDALDH1A1CA1CA2
SCHEMBL8004050 0.85 MAOB (0.36) MAOBHPGDALDH1A1CA1CA2
SCHEMBL7997215 0.85 ADRA2A (0.41) MAOBHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL7998972 0.85 MAOB (0.41) MAOBHPGDALDH1A1CA1CA2
SCHEMBL8001266 0.84 MAOB (0.38) MAOBHPGDALDH1A1CA1CA2
SCHEMBL6581059 0.84 MEN1 (0.46) MAOBHPGDALDH1A1CA1CA2
SCHEMBL7998809 0.83 ADRA2A (0.42) MAOBHPGDALDH1A1SMN1; SMN2TP53

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