SCHEMBL7870161

SCHEMBL7870161

Bc1cnc(C)c(OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.40
AOC3 Q16853 2/20 0.37
LMNA P02545 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GAA P10253 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
SCHEMBL24843632 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL612377 0.76 GRM5 (0.49) PIK3C3AOC3LMNAALDH1A1KDM4E
SCHEMBL19491511 0.76 PIK3C3 (0.40) PIK3C3AOC3LMNAALDH1A1MAPK1
SCHEMBL7880330 0.76 DPP4 (0.36) AOC3LMNAALDH1A1KDM4EMAPK1
SCHEMBL7870251 0.74 PIK3C3 (0.41) PIK3C3TLR8
SCHEMBL7869375 0.74 MAPK1 (0.34) AOC3LMNAALDH1A1KDM4EMAPK1
SCHEMBL18266150 0.73 AOC3 (0.47) PIK3C3AOC3LMNAALDH1A1KDM4E
SCHEMBL17177772 0.71 ALDH1A1 (0.38) PIK3C3LMNAALDH1A1MEN1MAPT
SCHEMBL20780788 0.69 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL19936158 0.69

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