SCHEMBL17569413

SCHEMBL17569413

COc1cc(N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
XBP1 P17861 1/20 0.40
ALOX5 P09917 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
NTSR1 P30989 1/20 0.39
POLB P06746 1/20 0.37
PTGES O14684 1/20 0.36
SIRT2 Q8IXJ6 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
SCHEMBL19275673 1.00 MAPT (0.49) MAPTMEN1KMT2ALMNAHTT
SCHEMBL17560484 0.86 MAPT (0.40) MAPTMEN1KMT2ALMNAHTT
SCHEMBL17569528 0.86 MAPT (0.40) MAPTMEN1KMT2ALMNAHTT
SCHEMBL17560485 0.86 MAPT (0.40) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19271235 0.84 MEN1 (0.53) MAPTMEN1KMT2ALMNAHTT
SCHEMBL15156388 0.84 MAPT (0.60) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19275515 0.83 MAPT (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL17569636 0.83 MAPT (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6701858 0.83 MAPT (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL17570145 0.82 HTR6 (0.36) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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-2016034642-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed