SCHEMBL10077404

SCHEMBL10077404

COc1ccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 1.00
GAA P10253 12/20 1.00
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
POLB P06746 4/20 1.00
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2C9 P11712 2/20 0.80
CYP2C19 P33261 2/20 0.80
GFER P55789 1/20 0.80
TP53 P04637 2/20 0.80
ALDH1A1 P00352 7/20 0.78
BLM P54132 3/20 0.78
PLEC Q15149 2/20 0.78
LMNA P02545 1/20 0.78
KDM4E B2RXH2 5/20 0.77
MAPK1 P28482 2/20 0.77
MCL1 Q07820 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
THRB P10828 1/20 0.73

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
SCHEMBL10077924 0.91 MAPT (1.00) MAPTGAAMEN1KMT2APOLB
SCHEMBL10077846 0.89 MAPT (1.00) MAPTGAAMEN1KMT2APOLB
SCHEMBL10077848 0.87 MAPT (1.00) MAPTGAAMEN1KMT2APOLB
SCHEMBL10077845 0.87 GAA (1.00) MAPTGAAMEN1KMT2APOLB
SCHEMBL10077002 0.85 MAPT (1.00) MAPTGAAMEN1KMT2APOLB
SCHEMBL10077844 0.83 MAPT (1.00) MAPTGAAMEN1KMT2APOLB
SCHEMBL13166883 0.73 MST1R (1.00) MAPTGAAMEN1KMT2APOLB
SCHEMBL5646856 0.72 TP53 (0.69) MAPTGAAMEN1KMT2APOLB
SCHEMBL17481572 0.72 KMT2A (0.56) MAPTGAAMEN1KMT2APOLB
SCHEMBL6698946 0.70 MAPT (1.00) MAPTGAAMEN1KMT2APOLB

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-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 WO disclosed