SCHEMBL7876938

SCHEMBL7876938

C=C1OB(c2cnc(NCC)nc2OC)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL2067564 0.83 CYP1A2 (0.34) BCL6MEN1ALDH1A1CYP1A2GLA
SCHEMBL13028952 0.77
SCHEMBL13178921 0.70
SCHEMBL12647468 0.69 APLNR (0.33)
SCHEMBL2066865 0.68 ALPL (0.34)
SCHEMBL13100020 0.68 HCAR3 (0.38)
SCHEMBL16045601 0.65 ALPL (0.33) BCL6MEN1KMT2A
SCHEMBL2068179 0.65 ULK1 (0.45) BCL6MEN1ALDH1A1CYP1A2GLA
SCHEMBL13029782 0.65
SCHEMBL13030132 0.65

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed