SCHEMBL14201717

SCHEMBL14201717

COc1ccc(B(O)O)cc1CNC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
KDM4E B2RXH2 3/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.47
PABPC1 P11940 1/20 0.47
MAPT P10636 1/20 0.46
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL12690965 0.86 MEN1 (0.45) MEN1KMT2AKDM4EGAAHTT
SCHEMBL29953365 0.81 QRFPR (0.47) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4733145 0.80 MEN1 (0.39) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4734547 0.80 MEN1 (0.39) MEN1KMT2AKDM4EGAAHTT
SCHEMBL12678687 0.80 GAA (0.40) MEN1KMT2AKDM4EGAAHTT
SCHEMBL11782294 0.78 MEN1 (0.64) MEN1KMT2AKDM4EGAAHTT
SCHEMBL29956300 0.77 QRFPR (0.46) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL12678325 0.77 MEN1 (0.37) MEN1KMT2AKDM4EGAAHTT
SCHEMBL29955155 0.76 QRFPR (0.54) MEN1KMT2AALDH1A1POLB
SCHEMBL27091860 0.76 MEN1 (0.65) MEN1KMT2AKDM4EGAAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed