SCHEMBL8003445

SCHEMBL8003445

Bc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc(B)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 1/20 0.53
PAX8 Q06710 1/20 0.53
PPARG P37231 2/20 0.51
HTT P42858 2/20 0.51
NCOA2 Q15596 2/20 0.51
NCOA1 Q15788 2/20 0.51
NCOA3 Q9Y6Q9 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.49
BACE1 P56817 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1029247 0.86 MAPT (0.70) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL17124160 0.84 MAPT (0.59) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL12637181 0.81 KMT2A (0.64) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL8003410 0.78 CFTR (0.70) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL1672374 0.77 KMT2A (0.56) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL1672377 0.77 KMT2A (0.56) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL16606094 0.77 KMT2A (0.70) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL8289618 0.77 MAPT (0.59) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL8290519 0.76 MAPT (0.71) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL12671818 0.75 CFTR (0.70) MAPTKMT2AMEN1KDM4ELMNA

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-2009120803-A2 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-01 WO disclosed