SCHEMBL3974286

SCHEMBL3974286

CCOC(=O)c1ccc(N(Cc2ccc(OC)c(OCC)c2)C2CCNCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
MAPT P10636 6/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 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
SCHEMBL3973369 0.94 REN (0.43) RENMAPTTP53L3MBTL1KDM4E
SCHEMBL3972925 0.91 MAPK1 (0.44) RENMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL3973856 0.91 L3MBTL1 (0.47) RENMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL3977361 0.84 REN (0.47) RENKMT2ASMN1; SMN2NPSR1MEN1
SCHEMBL3968604 0.84 SSTR5 (0.40) ALDH1A1SMN1; SMN2HTT
SCHEMBL3971901 0.84 SSTR5 (0.43) REN
SCHEMBL3979346 0.83 REN (0.43) RENTP53L3MBTL1ALDH1A1KMT2A
SCHEMBL3973033 0.83 SSTR5 (0.42) MAPT
SCHEMBL3978538 0.82 REN (0.43) RENTDP1KDM4EGAANPSR1
SCHEMBL3977612 0.82 SLC6A2 (0.37) RENTDP1KDM4EALDH1A1GAA

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
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed